CID 5493435

Benzamide, 4-nitro-n-purin-6-yl-

Structural Information

Molecular Formula
C12H8N6O3
SMILES
C1=CC(=CC=C1C(=O)NC2=NC=NC3=C2NC=N3)[N+](=O)[O-]
InChI
InChI=1S/C12H8N6O3/c19-12(7-1-3-8(4-2-7)18(20)21)17-11-9-10(14-5-13-9)15-6-16-11/h1-6H,(H2,13,14,15,16,17,19)
InChIKey
MAYPTSUDLAWBGU-UHFFFAOYSA-N
Compound name
4-nitro-N-(7H-purin-6-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

284.0658 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.07308 155.5
[M+Na]+ 307.05502 169.2
[M+NH4]+ 302.09962 161.0
[M+K]+ 323.02896 168.9
[M-H]- 283.05852 158.1
[M+Na-2H]- 305.04047 163.1
[M]+ 284.06525 157.7
[M]- 284.06635 157.7
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

patents stripe