CID 476454

[(2s,3s,5r)-5-[2-amino-6-(benzylamino)purin-9-yl]-3-azido-tetrahydrofuran-2-yl]methanol

Structural Information

Molecular Formula
C17H19N9O2
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=C(N=C32)N)NCC4=CC=CC=C4)CO)N=[N+]=[N-]
InChI
InChI=1S/C17H19N9O2/c18-17-22-15(20-7-10-4-2-1-3-5-10)14-16(23-17)26(9-21-14)13-6-11(24-25-19)12(8-27)28-13/h1-5,9,11-13,27H,6-8H2,(H3,18,20,22,23)/t11-,12+,13+/m0/s1
InChIKey
SNGHWFJYYAXECQ-YNEHKIRRSA-N
Compound name
[(2S,3S,5R)-5-[2-amino-6-(benzylamino)purin-9-yl]-3-azidooxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

381.16617 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.17345 180.6
[M+Na]+ 404.15539 186.6
[M-H]- 380.15889 189.2
[M+NH4]+ 399.19999 188.5
[M+K]+ 420.12933 177.4
[M+H-H2O]+ 364.16343 173.3
[M+HCOO]- 426.16437 205.6
[M+CH3COO]- 440.18002 223.0
[M+Na-2H]- 402.14084 189.5
[M]+ 381.16562 178.1
[M]- 381.16672 178.1
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

No patent data available for this compound.