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]+ 287.10265 163.0
[M+Na]+ 309.08459 169.1
[M-H]- 285.08809 170.1
[M+NH4]+ 304.12919 177.3
[M+K]+ 325.05853 162.5
[M+H-H2O]+ 269.09263 159.4
[M+HCOO]- 331.09357 188.6
[M+CH3COO]- 345.10922 198.0
[M+Na-2H]- 307.07004 168.7
[M]+ 286.09482 163.0
[M]- 286.09592 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.