CID 874576

N-(4-(aminocarbonyl)phenyl)-4-methoxy-3-nitrobenzamide

Structural Information

Molecular Formula
C15H13N3O5
SMILES
COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)N)[N+](=O)[O-]
InChI
InChI=1S/C15H13N3O5/c1-23-13-7-4-10(8-12(13)18(21)22)15(20)17-11-5-2-9(3-6-11)14(16)19/h2-8H,1H3,(H2,16,19)(H,17,20)
InChIKey
JXHSJUAPWJKPLE-UHFFFAOYSA-N
Compound name
N-(4-carbamoylphenyl)-4-methoxy-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

315.0855 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.092776 167.7
[M+Na]+ 338.074718 172.6
[M-H]- 314.078224 174.2
[M+NH4]+ 333.119323 179.8
[M+K]+ 354.048658 166.3
[M+H-H2O]+ 298.082760 163.6
[M+HCOO]- 360.083701 193.0
[M+CH3COO]- 374.099351 204.5
[M+Na-2H]- 336.060166 172.1
[M]+ 315.08495142 166.0
[M]- 315.08604858 166.0
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

No patent data available for this compound.