CID 874576

93839-20-4

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]+ 316.09278 167.7
[M+Na]+ 338.07472 172.6
[M-H]- 314.07822 174.2
[M+NH4]+ 333.11932 179.8
[M+K]+ 354.04866 166.3
[M+H-H2O]+ 298.08276 163.6
[M+HCOO]- 360.08370 193.0
[M+CH3COO]- 374.09935 204.5
[M+Na-2H]- 336.06017 172.1
[M]+ 315.08495 166.0
[M]- 315.08605 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.