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]+ 273.08698 157.8
[M+Na]+ 295.06892 164.0
[M-H]- 271.07242 163.7
[M+NH4]+ 290.11352 172.1
[M+K]+ 311.04286 156.7
[M+H-H2O]+ 255.07696 154.8
[M+HCOO]- 317.07790 182.3
[M+CH3COO]- 331.09355 192.4
[M+Na-2H]- 293.05437 163.7
[M]+ 272.07915 155.7
[M]- 272.08025 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.