CID 2828433

N-(4-methoxy-2-nitrophenyl)-2-methylbenzamide

Structural Information

Molecular Formula
C15H14N2O4
SMILES
CC1=CC=CC=C1C(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-]
InChI
InChI=1S/C15H14N2O4/c1-10-5-3-4-6-12(10)15(18)16-13-8-7-11(21-2)9-14(13)17(19)20/h3-9H,1-2H3,(H,16,18)
InChIKey
GFPNQHDBSALTEN-UHFFFAOYSA-N
Compound name
N-(4-methoxy-2-nitrophenyl)-2-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

286.09537 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.102646 163.0
[M+Na]+ 309.084588 169.1
[M-H]- 285.088094 170.1
[M+NH4]+ 304.129193 177.3
[M+K]+ 325.058528 162.5
[M+H-H2O]+ 269.092630 159.4
[M+HCOO]- 331.093571 188.6
[M+CH3COO]- 345.109221 198.0
[M+Na-2H]- 307.070036 168.7
[M]+ 286.09482142 163.0
[M]- 286.09591858 163.0
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.