CID 97665

2-amino-5-nitrobenzamide

Structural Information

Molecular Formula
C7H7N3O3
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])C(=O)N)N
InChI
InChI=1S/C7H7N3O3/c8-6-2-1-4(10(12)13)3-5(6)7(9)11/h1-3H,8H2,(H2,9,11)
InChIKey
SOBQOVZAFJDEJI-UHFFFAOYSA-N
Compound name
2-amino-5-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

201
Patents

181.04874 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.05602 133.6
[M+Na]+ 204.03796 144.3
[M+NH4]+ 199.08256 140.6
[M+K]+ 220.01190 143.2
[M-H]- 180.04146 136.7
[M+Na-2H]- 202.02341 138.7
[M]+ 181.04819 135.5
[M]- 181.04929 135.5
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

patents stripe