PubChemLite - Nsc706108 (C25H46N2O8Si2)

Structural Information

Molecular Formula

SMILES

CCOC(=O)CC1([C@H](O[C@H]([C@@H]1O[Si](C)(C)C(C)(C)C)N2C=CC(=O)NC2=O)CO[Si](C)(C)C(C)(C)C)O

InChI

InChI=1S/C25H46N2O8Si2/c1-12-32-19(29)15-25(31)17(16-33-36(8,9)23(2,3)4)34-21(27-14-13-18(28)26-22(27)30)20(25)35-37(10,11)24(5,6)7/h13-14,17,20-21,31H,12,15-16H2,1-11H3,(H,26,28,30)/t17-,20+,21-,25?/m1/s1

InChIKey

APKGXVPHZXMBJY-MBORXCQSSA-N

Compound name

ethyl 2-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-3-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]+	559.28658	224.2
[M+Na]+	581.26852	227.8
[M-H]-	557.27202	226.0
[M+NH4]+	576.31312	229.0
[M+K]+	597.24246	228.7
[M+H-H2O]+	541.27656	219.3
[M+HCOO]-	603.27750	230.1
[M+CH3COO]-	617.29315	243.4
[M+Na-2H]-	579.25397	226.9
[M]+	558.27875	232.6
[M]-	558.27985	232.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

559.28658

224.2

[M+Na]+

581.26852

227.8

[M-H]-

557.27202

226.0

[M+NH4]+

576.31312

229.0

[M+K]+

597.24246

228.7

[M+H-H2O]+

541.27656

219.3

[M+HCOO]-

603.27750

230.1

[M+CH3COO]-

617.29315

243.4

[M+Na-2H]-

579.25397

226.9

[M]+

558.27875

232.6

[M]-

558.27985

232.6

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

Nsc706108

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe