CID 710638

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

286.09537 Da
Monoisotopic Mass

2.9
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

patents stripe