CID 4437806

2-hydroxy-5-methyl-n-(4-nitrophenyl)benzamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
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

patents stripe