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

5
Patents

257.08005 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.08733 155.0
[M+Na]+ 280.06927 167.7
[M+NH4]+ 275.11387 162.4
[M+K]+ 296.04321 164.4
[M-H]- 256.07277 161.0
[M+Na-2H]- 278.05472 163.2
[M]+ 257.07950 158.2
[M]- 257.08060 158.2
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