PubChemLite - 1(2h)-pyrimidineacetic acid, 3-[(2r,5s)-5-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-2,5-dihydro-2-furanyl]-3,6-dihydro-5-methyl-2,6-dioxo-, methyl ester (C19H30N2O6Si)

Structural Information

Molecular Formula

SMILES

CC1=CN(C(=O)N(C1=O)CC(=O)OC)[C@H]2C=C[C@H](O2)CO[Si](C)(C)C(C)(C)C

InChI

InChI=1S/C19H30N2O6Si/c1-13-10-20(18(24)21(17(13)23)11-16(22)25-5)15-9-8-14(27-15)12-26-28(6,7)19(2,3)4/h8-10,14-15H,11-12H2,1-7H3/t14-,15+/m0/s1

InChIKey

LFWYSYKFDCPRKK-LSDHHAIUSA-N

Compound name

methyl 2-[3-[(2R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydrofuran-2-yl]-5-methyl-2,6-dioxopyrimidin-1-yl]acetate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	411.19460	193.5
[M+Na]+	433.17654	201.5
[M-H]-	409.18004	199.0
[M+NH4]+	428.22114	203.3
[M+K]+	449.15048	200.9
[M+H-H2O]+	393.18458	186.2
[M+HCOO]-	455.18552	209.0
[M+CH3COO]-	469.20117	222.6
[M+Na-2H]-	431.16199	194.1
[M]+	410.18677	202.4
[M]-	410.18787	202.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

411.19460

193.5

[M+Na]+

433.17654

201.5

[M-H]-

409.18004

199.0

[M+NH4]+

428.22114

203.3

[M+K]+

449.15048

200.9

[M+H-H2O]+

393.18458

186.2

[M+HCOO]-

455.18552

209.0

[M+CH3COO]-

469.20117

222.6

[M+Na-2H]-

431.16199

194.1

[M]+

410.18677

202.4

[M]-

410.18787

202.4

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

1(2h)-pyrimidineacetic acid, 3-[(2r,5s)-5-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-2,5-dihydro-2-furanyl]-3,6-dihydro-5-methyl-2,6-dioxo-, methyl ester

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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