CID 710770

N-(2-methoxyphenyl)-2-nitrobenzamide

Structural Information

Molecular Formula
C14H12N2O4
SMILES
COC1=CC=CC=C1NC(=O)C2=CC=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C14H12N2O4/c1-20-13-9-5-3-7-11(13)15-14(17)10-6-2-4-8-12(10)16(18)19/h2-9H,1H3,(H,15,17)
InChIKey
WIHYBOCTPLSXPP-UHFFFAOYSA-N
Compound name
N-(2-methoxyphenyl)-2-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

272.0797 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.086976 158.4
[M+Na]+ 295.068918 164.0
[M-H]- 271.072424 165.2
[M+NH4]+ 290.113523 173.0
[M+K]+ 311.042858 157.6
[M+H-H2O]+ 255.076960 154.8
[M+HCOO]- 317.077901 184.3
[M+CH3COO]- 331.093551 193.8
[M+Na-2H]- 293.054366 165.3
[M]+ 272.07915142 157.6
[M]- 272.08024858 157.6
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.