CID 789287

N-(4-methoxyphenyl)-2-nitrobenzamide

Structural Information

Molecular Formula
C14H12N2O4
SMILES
COC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C14H12N2O4/c1-20-11-8-6-10(7-9-11)15-14(17)12-4-2-3-5-13(12)16(18)19/h2-9H,1H3,(H,15,17)
InChIKey
ZAVSYDFJORQSOM-UHFFFAOYSA-N
Compound name
N-(4-methoxyphenyl)-2-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

18
Patents

272.0797 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.08698 158.7
[M+Na]+ 295.06892 172.3
[M+NH4]+ 290.11352 166.0
[M+K]+ 311.04286 168.6
[M-H]- 271.07242 164.1
[M+Na-2H]- 293.05437 167.0
[M]+ 272.07915 161.9
[M]- 272.08025 161.9
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