CID 467418

2-(tert-butyldiphenylsilyloxymethyl)-5-[n-4'-(3""""""""-nicotinyl)cytosine-1'-yl]-1,3-oxathiolane

Structural Information

Molecular Formula
C30H32N4O4SSi
SMILES
CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OCC3OC(CS3)N4C=CC(=NC4=O)NC(=O)C5=CN=CC=C5
InChI
InChI=1S/C30H32N4O4SSi/c1-30(2,3)40(23-12-6-4-7-13-23,24-14-8-5-9-15-24)37-20-27-38-26(21-39-27)34-18-16-25(33-29(34)36)32-28(35)22-11-10-17-31-19-22/h4-19,26-27H,20-21H2,1-3H3,(H,32,33,35,36)
InChIKey
JMQYQIDWPOUWGX-UHFFFAOYSA-N
Compound name
N-[1-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl]-2-oxopyrimidin-4-yl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

572.19135 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 573.19863 233.9
[M+Na]+ 595.18057 237.1
[M-H]- 571.18407 245.5
[M+NH4]+ 590.22517 233.4
[M+K]+ 611.15451 232.2
[M+H-H2O]+ 555.18861 221.7
[M+HCOO]- 617.18955 242.7
[M+CH3COO]- 631.20520 238.9
[M+Na-2H]- 593.16602 234.6
[M]+ 572.19080 235.4
[M]- 572.19190 235.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.