CID 3015560

4-amino-4'-nitrobenzanilide

Structural Information

Molecular Formula
C13H11N3O3
SMILES
C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])N
InChI
InChI=1S/C13H11N3O3/c14-10-3-1-9(2-4-10)13(17)15-11-5-7-12(8-6-11)16(18)19/h1-8H,14H2,(H,15,17)
InChIKey
YCYKUNZVKNJOPW-UHFFFAOYSA-N
Compound name
4-amino-N-(4-nitrophenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

257.08005 Da
Monoisotopic Mass

1.8
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

literature stripe

Patent stripe

patents stripe