CID 478823

2-amino-n-(3-nitrophenyl)benzamide

Structural Information

Molecular Formula
C13H11N3O3
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])N
InChI
InChI=1S/C13H11N3O3/c14-12-7-2-1-6-11(12)13(17)15-9-4-3-5-10(8-9)16(18)19/h1-8H,14H2,(H,15,17)
InChIKey
XLSOXGUGCIQDBN-UHFFFAOYSA-N
Compound name
2-amino-N-(3-nitrophenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

257.08005 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.08733 153.5
[M+Na]+ 280.06927 158.8
[M-H]- 256.07277 159.9
[M+NH4]+ 275.11387 168.1
[M+K]+ 296.04321 151.6
[M+H-H2O]+ 240.07731 150.0
[M+HCOO]- 302.07825 180.0
[M+CH3COO]- 316.09390 192.9
[M+Na-2H]- 278.05472 160.3
[M]+ 257.07950 149.4
[M]- 257.08060 149.4
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