CID 5274040

2-hydroxy-4-methyl-n-(3-nitrophenyl)benzamide

Structural Information

Molecular Formula
C14H12N2O4
SMILES
CC1=CC(=C(C=C1)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])O
InChI
InChI=1S/C14H12N2O4/c1-9-5-6-12(13(17)7-9)14(18)15-10-3-2-4-11(8-10)16(19)20/h2-8,17H,1H3,(H,15,18)
InChIKey
POZNHYDSXPQBGO-UHFFFAOYSA-N
Compound name
2-hydroxy-4-methyl-N-(3-nitrophenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

272.0797 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.086976 157.8
[M+Na]+ 295.068918 164.0
[M-H]- 271.072424 163.7
[M+NH4]+ 290.113523 172.1
[M+K]+ 311.042858 156.7
[M+H-H2O]+ 255.076960 154.8
[M+HCOO]- 317.077901 182.3
[M+CH3COO]- 331.093551 192.4
[M+Na-2H]- 293.054366 163.7
[M]+ 272.07915142 155.7
[M]- 272.08024858 155.7
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

No patent data available for this compound.