CID 507015

Schembl23270835

Structural Information

Molecular Formula
C16H26N2O5Si
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)C=O)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C16H26N2O5Si/c1-10-8-18(15(21)17-14(10)20)13-7-11(12(9-19)22-13)23-24(5,6)16(2,3)4/h8-9,11-13H,7H2,1-6H3,(H,17,20,21)/t11-,12+,13+/m0/s1
InChIKey
STTYRPFHCCYWPO-YNEHKIRRSA-N
Compound name
(2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

34
Patents

354.1611 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.16838 180.3
[M+Na]+ 377.15032 188.6
[M-H]- 353.15382 184.4
[M+NH4]+ 372.19492 191.7
[M+K]+ 393.12426 186.7
[M+H-H2O]+ 337.15836 173.7
[M+HCOO]- 399.15930 194.7
[M+CH3COO]- 413.17495 209.4
[M+Na-2H]- 375.13577 181.7
[M]+ 354.16055 184.1
[M]- 354.16165 184.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe