CID 494344

Nsc613004

Structural Information

Molecular Formula
C23H31N5O3Si
SMILES
CC(C)(C)[Si](C)(C)OC[C@H]1CC[C@H](O1)N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4
InChI
InChI=1S/C23H31N5O3Si/c1-23(2,3)32(4,5)30-13-17-11-12-18(31-17)28-15-26-19-20(24-14-25-21(19)28)27-22(29)16-9-7-6-8-10-16/h6-10,14-15,17-18H,11-13H2,1-5H3,(H,24,25,27,29)/t17-,18+/m1/s1
InChIKey
VAIZBQSGURYFDL-MSOLQXFVSA-N
Compound name
N-[9-[(2S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

453.2196 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.22688 209.8
[M+Na]+ 476.20882 215.1
[M-H]- 452.21232 216.4
[M+NH4]+ 471.25342 216.4
[M+K]+ 492.18276 212.1
[M+H-H2O]+ 436.21686 199.6
[M+HCOO]- 498.21780 223.0
[M+CH3COO]- 512.23345 230.9
[M+Na-2H]- 474.19427 211.2
[M]+ 453.21905 213.3
[M]- 453.22015 213.3
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.