CID 45953

N-(2,5-dimethylphenyl)-2-hydroxy-3-nitrobenzamide

Structural Information

Molecular Formula
C15H14N2O4
SMILES
CC1=CC(=C(C=C1)C)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])O
InChI
InChI=1S/C15H14N2O4/c1-9-6-7-10(2)12(8-9)16-15(19)11-4-3-5-13(14(11)18)17(20)21/h3-8,18H,1-2H3,(H,16,19)
InChIKey
ZHSZKAUBTWMIHX-UHFFFAOYSA-N
Compound name
N-(2,5-dimethylphenyl)-2-hydroxy-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

286.09537 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.10265 162.5
[M+Na]+ 309.08459 169.1
[M-H]- 285.08809 168.6
[M+NH4]+ 304.12919 176.4
[M+K]+ 325.05853 161.7
[M+H-H2O]+ 269.09263 159.4
[M+HCOO]- 331.09357 186.5
[M+CH3COO]- 345.10922 196.6
[M+Na-2H]- 307.07004 167.2
[M]+ 286.09482 161.1
[M]- 286.09592 161.1
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