CID 485104

N^6-(p-aminobenzyl)adenosine-9-beta-d-ribofuranosyl

Structural Information

Molecular Formula
C17H18N8O2
SMILES
C1C[C@@H](O[C@@H]1CO)N2C=NC3=C(N=CN=C32)NCC4=CC=C(C=C4)N=[N+]=[N-]
InChI
InChI=1S/C17H18N8O2/c18-24-23-12-3-1-11(2-4-12)7-19-16-15-17(21-9-20-16)25(10-22-15)14-6-5-13(8-26)27-14/h1-4,9-10,13-14,26H,5-8H2,(H,19,20,21)/t13-,14+/m0/s1
InChIKey
DNIFAJWMYROKMN-UONOGXRCSA-N
Compound name
[(2S,5R)-5-[6-[(4-azidophenyl)methylamino]purin-9-yl]oxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

366.15527 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.16255 178.5
[M+Na]+ 389.14449 184.5
[M-H]- 365.14799 187.0
[M+NH4]+ 384.18909 187.2
[M+K]+ 405.11843 175.5
[M+H-H2O]+ 349.15253 171.0
[M+HCOO]- 411.15347 203.1
[M+CH3COO]- 425.16912 217.4
[M+Na-2H]- 387.12994 187.6
[M]+ 366.15472 176.9
[M]- 366.15582 176.9
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.