PubChemLite - Nsc699332 (C19H32N2O4Si)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C19H32N2O4Si/c1-8-9-14-10-16(21-11-13(2)17(22)20-18(21)23)25-15(14)12-24-26(6,7)19(3,4)5/h8,11,14-16H,1,9-10,12H2,2-7H3,(H,20,22,23)/t14-,15+,16+/m0/s1

InChIKey

AJZMFWIZHTZCOB-ARFHVFGLSA-N

Compound name

1-[(2R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-prop-2-enyloxolan-2-yl]-5-methylpyrimidine-2,4-dione

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]+	381.22041	191.3
[M+Na]+	403.20235	198.5
[M-H]-	379.20585	194.8
[M+NH4]+	398.24695	201.7
[M+K]+	419.17629	195.3
[M+H-H2O]+	363.21039	184.3
[M+HCOO]-	425.21133	204.4
[M+CH3COO]-	439.22698	216.1
[M+Na-2H]-	401.18780	190.9
[M]+	380.21258	194.7
[M]-	380.21368	194.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

381.22041

191.3

[M+Na]+

403.20235

198.5

[M-H]-

379.20585

194.8

[M+NH4]+

398.24695

201.7

[M+K]+

419.17629

195.3

[M+H-H2O]+

363.21039

184.3

[M+HCOO]-

425.21133

204.4

[M+CH3COO]-

439.22698

216.1

[M+Na-2H]-

401.18780

190.9

[M]+

380.21258

194.7

[M]-

380.21368

194.7

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

Nsc699332

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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