PubChemLite - Benzamide, n-[1-[(2s,4r)-4-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]tetrahydro-4-phenyl-2-furanyl]-1,2-dihydro-2-oxo-4-pyrimidinyl]- (C28H35N3O4Si)

Structural Information

Molecular Formula

SMILES

CC(C)(C)[Si](C)(C)OC[C@]1(C[C@H](OC1)N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H35N3O4Si/c1-27(2,3)36(4,5)35-20-28(22-14-10-7-11-15-22)18-24(34-19-28)31-17-16-23(30-26(31)33)29-25(32)21-12-8-6-9-13-21/h6-17,24H,18-20H2,1-5H3,(H,29,30,32,33)/t24-,28+/m0/s1

InChIKey

BYTYWDSUKNOMDY-RBJSKKJNSA-N

Compound name

N-[1-[(2S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenyloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide

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]+	506.24698	221.6
[M+Na]+	528.22892	225.2
[M-H]-	504.23242	231.8
[M+NH4]+	523.27352	227.2
[M+K]+	544.20286	222.1
[M+H-H2O]+	488.23696	210.4
[M+HCOO]-	550.23790	235.4
[M+CH3COO]-	564.25355	239.8
[M+Na-2H]-	526.21437	223.6
[M]+	505.23915	223.1
[M]-	505.24025	223.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

506.24698

221.6

[M+Na]+

528.22892

225.2

[M-H]-

504.23242

231.8

[M+NH4]+

523.27352

227.2

[M+K]+

544.20286

222.1

[M+H-H2O]+

488.23696

210.4

[M+HCOO]-

550.23790

235.4

[M+CH3COO]-

564.25355

239.8

[M+Na-2H]-

526.21437

223.6

[M]+

505.23915

223.1

[M]-

505.24025

223.1

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

Benzamide, n-[1-[(2s,4r)-4-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]tetrahydro-4-phenyl-2-furanyl]-1,2-dihydro-2-oxo-4-pyrimidinyl]-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe