CID 13833804

51549-39-4

Structural Information

Molecular Formula
C23H31N5O4Si
SMILES
CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H](C[C@@H](O1)N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4)O
InChI
InChI=1S/C23H31N5O4Si/c1-23(2,3)33(4,5)31-12-17-16(29)11-18(32-17)28-14-26-19-20(24-13-25-21(19)28)27-22(30)15-9-7-6-8-10-15/h6-10,13-14,16-18,29H,11-12H2,1-5H3,(H,24,25,27,30)/t16-,17+,18+/m0/s1
InChIKey
BJZZQJFYKQPUGO-RCCFBDPRSA-N
Compound name
N-[9-[(2R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]purin-6-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
Patents

469.21454 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.22182 208.3
[M+Na]+ 492.20376 218.1
[M+NH4]+ 487.24836 211.6
[M+K]+ 508.17770 219.0
[M-H]- 468.20726 210.7
[M+Na-2H]- 490.18921 212.4
[M]+ 469.21399 210.2
[M]- 469.21509 210.2
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