CID 476444

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

Structural Information

Molecular Formula
C17H18N8O3
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(N=C3OCC4=CC=CC=C4)N)CO)N=[N+]=[N-]
InChI
InChI=1S/C17H18N8O3/c18-17-21-15-14(16(22-17)27-8-10-4-2-1-3-5-10)20-9-25(15)13-6-11(23-24-19)12(7-26)28-13/h1-5,9,11-13,26H,6-8H2,(H2,18,21,22)/t11-,12+,13+/m0/s1
InChIKey
GGBJECJGAQJIQT-YNEHKIRRSA-N
Compound name
[(2S,3S,5R)-5-(2-amino-6-phenylmethoxypurin-9-yl)-3-azidooxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

382.15018 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.15746 182.6
[M+Na]+ 405.13940 189.1
[M-H]- 381.14290 191.1
[M+NH4]+ 400.18400 190.6
[M+K]+ 421.11334 180.4
[M+H-H2O]+ 365.14744 175.3
[M+HCOO]- 427.14838 206.7
[M+CH3COO]- 441.16403 220.2
[M+Na-2H]- 403.12485 190.4
[M]+ 382.14963 181.8
[M]- 382.15073 181.8
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.