CID 5493685

N-(2-hydroxy-4-nitro-phenyl)-2,5-dimethyl-benzamide

Structural Information

Molecular Formula
C15H14N2O4
SMILES
CC1=CC(=C(C=C1)C)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])O
InChI
InChI=1S/C15H14N2O4/c1-9-3-4-10(2)12(7-9)15(19)16-13-6-5-11(17(20)21)8-14(13)18/h3-8,18H,1-2H3,(H,16,19)
InChIKey
GCYOFBJOVMXYCB-UHFFFAOYSA-N
Compound name
N-(2-hydroxy-4-nitrophenyl)-2,5-dimethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

286.09537 Da
Monoisotopic Mass

3.0
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

No patent data available for this compound.