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
1
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 168.6
[M+Na]+ 338.07472 179.9
[M+NH4]+ 333.11932 174.0
[M+K]+ 354.04866 178.2
[M-H]- 314.07822 173.1
[M+Na-2H]- 336.06017 174.7
[M]+ 315.08495 171.0
[M]- 315.08605 171.0
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.