PubChemLite - Nsc693090 (C24H42N2O8Si2)

Structural Information

Molecular Formula

SMILES

CC(C)(C)[Si](C)(C)OC[C@@H]1[C@]2([C@H]([C@@H](O1)N3C=CC(=O)NC3=O)O[Si](C)(C)C(C)(C)C)[C@@H](O2)C(=O)OC

InChI

InChI=1S/C24H42N2O8Si2/c1-22(2,3)35(8,9)31-14-15-24(18(33-24)20(28)30-7)17(34-36(10,11)23(4,5)6)19(32-15)26-13-12-16(27)25-21(26)29/h12-13,15,17-19H,14H2,1-11H3,(H,25,27,29)/t15-,17+,18+,19-,24+/m1/s1

InChIKey

DIOPLPHLHKNLDY-QFFCLMPBSA-N

Compound name

methyl (2R,3R,4R,5R,7R)-4-[tert-butyl(dimethyl)silyl]oxy-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-1,6-dioxaspiro[2.4]heptane-2-carboxylate

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]+	543.25528	221.3
[M+Na]+	565.23722	228.0
[M-H]-	541.24072	227.9
[M+NH4]+	560.28182	222.3
[M+K]+	581.21116	228.6
[M+H-H2O]+	525.24526	217.2
[M+HCOO]-	587.24620	227.6
[M+CH3COO]-	601.26185	242.8
[M+Na-2H]-	563.22267	225.4
[M]+	542.24745	233.6
[M]-	542.24855	233.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

543.25528

221.3

[M+Na]+

565.23722

228.0

[M-H]-

541.24072

227.9

[M+NH4]+

560.28182

222.3

[M+K]+

581.21116

228.6

[M+H-H2O]+

525.24526

217.2

[M+HCOO]-

587.24620

227.6

[M+CH3COO]-

601.26185

242.8

[M+Na-2H]-

563.22267

225.4

[M]+

542.24745

233.6

[M]-

542.24855

233.6

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

Nsc693090

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe