CID 495397

Nsc652940

Structural Information

Molecular Formula
C26H31N5O3Si
SMILES
CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)O[C@@H]3C[C@H](O[C@H]3CO)N4C=NC5=C(N=CN=C54)N
InChI
InChI=1S/C26H31N5O3Si/c1-26(2,3)35(18-10-6-4-7-11-18,19-12-8-5-9-13-19)34-20-14-22(33-21(20)15-32)31-17-30-23-24(27)28-16-29-25(23)31/h4-13,16-17,20-22,32H,14-15H2,1-3H3,(H2,27,28,29)/t20-,21+,22+/m1/s1
InChIKey
VCSVHBXJLMRITK-FSSWDIPSSA-N
Compound name
[(2S,3R,5S)-5-(6-aminopurin-9-yl)-3-[tert-butyl(diphenyl)silyl]oxyoxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

489.2196 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.22688 215.9
[M+Na]+ 512.20882 221.4
[M-H]- 488.21232 224.2
[M+NH4]+ 507.25342 219.7
[M+K]+ 528.18276 216.4
[M+H-H2O]+ 472.21686 205.0
[M+HCOO]- 534.21780 227.8
[M+CH3COO]- 548.23345 222.5
[M+Na-2H]- 510.19427 217.0
[M]+ 489.21905 216.8
[M]- 489.22015 216.8
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.