PubChemLite - Bu2mesicnddt (C17H27N3O4Si)

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)C#N

InChI

InChI=1S/C17H27N3O4Si/c1-11-9-20(16(22)19-15(11)21)14-7-12(8-18)13(24-14)10-23-25(5,6)17(2,3)4/h9,12-14H,7,10H2,1-6H3,(H,19,21,22)/t12-,13-,14-/m1/s1

InChIKey

ASRCITJDRZNWOT-MGPQQGTHSA-N

Compound name

(2S,3R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-3-carbonitrile

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]+	366.18438	185.0
[M+Na]+	388.16632	193.9
[M-H]-	364.16982	187.3
[M+NH4]+	383.21092	194.3
[M+K]+	404.14026	191.2
[M+H-H2O]+	348.17436	170.9
[M+HCOO]-	410.17530	195.6
[M+CH3COO]-	424.19095	221.1
[M+Na-2H]-	386.15177	185.1
[M]+	365.17655	182.3
[M]-	365.17765	182.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

366.18438

185.0

[M+Na]+

388.16632

193.9

[M-H]-

364.16982

187.3

[M+NH4]+

383.21092

194.3

[M+K]+

404.14026

191.2

[M+H-H2O]+

348.17436

170.9

[M+HCOO]-

410.17530

195.6

[M+CH3COO]-

424.19095

221.1

[M+Na-2H]-

386.15177

185.1

[M]+

365.17655

182.3

[M]-

365.17765

182.3

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

Bu2mesicnddt

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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