CID 306529

N-(4-methoxyphenyl)-3-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/c1-20-13-7-5-11(6-8-13)15-14(17)10-3-2-4-12(9-10)16(18)19/h2-9H,1H3,(H,15,17)
InChIKey
IJLDXKIMXVBWEJ-UHFFFAOYSA-N
Compound name
N-(4-methoxyphenyl)-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

7
Patents

272.0797 Da
Monoisotopic Mass

2.6
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