CID 476466

2-amino-9-(3-azido-2,3-dideoxy-.beta.-d-erythro-pentofuranosyl)-9h-purine-6-carbonitrile

Structural Information

Molecular Formula
C11H11N9O2
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=C(N=C32)N)C#N)CO)N=[N+]=[N-]
InChI
InChI=1S/C11H11N9O2/c12-2-6-9-10(17-11(13)16-6)20(4-15-9)8-1-5(18-19-14)7(3-21)22-8/h4-5,7-8,21H,1,3H2,(H2,13,16,17)/t5-,7+,8+/m0/s1
InChIKey
QKRIODNZZOJQQK-UIISKDMLSA-N
Compound name
2-amino-9-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]purine-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

301.10358 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.11086 164.9
[M+Na]+ 324.09280 173.7
[M-H]- 300.09630 167.2
[M+NH4]+ 319.13740 174.3
[M+K]+ 340.06674 166.1
[M+H-H2O]+ 284.10084 151.1
[M+HCOO]- 346.10178 184.5
[M+CH3COO]- 360.11743 215.0
[M+Na-2H]- 322.07825 171.3
[M]+ 301.10303 157.2
[M]- 301.10413 157.2
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

No patent data available for this compound.