CID 520479

2-amino-5-nitrobenzanilide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

257.08005 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.087326 153.5
[M+Na]+ 280.069268 158.8
[M-H]- 256.072774 159.9
[M+NH4]+ 275.113873 168.1
[M+K]+ 296.043208 151.6
[M+H-H2O]+ 240.077310 150.0
[M+HCOO]- 302.078251 180.0
[M+CH3COO]- 316.093901 192.9
[M+Na-2H]- 278.054716 160.3
[M]+ 257.07950142 149.4
[M]- 257.08059858 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