PubChemLite - Nsc685183 (C25H44N2O7Si2)

Structural Information

Molecular Formula

SMILES

CC1=CN(C(=O)NC1=O)[C@H]2[C@@H](/C(=C/C(=O)OC)/[C@H](O2)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C

InChI

InChI=1S/C25H44N2O7Si2/c1-16-14-27(23(30)26-21(16)29)22-20(34-36(11,12)25(5,6)7)17(13-19(28)31-8)18(33-22)15-32-35(9,10)24(2,3)4/h13-14,18,20,22H,15H2,1-12H3,(H,26,29,30)/b17-13+/t18-,20-,22-/m1/s1

InChIKey

JSFJYACLZAYFAE-SIJHDSSOSA-N

Compound name

methyl (2E)-2-[(2S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-ylidene]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]+	541.27598	223.1
[M+Na]+	563.25792	227.8
[M-H]-	539.26142	226.5
[M+NH4]+	558.30252	227.7
[M+K]+	579.23186	227.4
[M+H-H2O]+	523.26596	217.1
[M+HCOO]-	585.26690	230.4
[M+CH3COO]-	599.28255	243.9
[M+Na-2H]-	561.24337	223.0
[M]+	540.26815	230.9
[M]-	540.26925	230.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

541.27598

223.1

[M+Na]+

563.25792

227.8

[M-H]-

539.26142

226.5

[M+NH4]+

558.30252

227.7

[M+K]+

579.23186

227.4

[M+H-H2O]+

523.26596

217.1

[M+HCOO]-

585.26690

230.4

[M+CH3COO]-

599.28255

243.9

[M+Na-2H]-

561.24337

223.0

[M]+

540.26815

230.9

[M]-

540.26925

230.9

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

Nsc685183

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe