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

23
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 158.4
[M+Na]+ 295.06892 164.0
[M-H]- 271.07242 165.2
[M+NH4]+ 290.11352 173.0
[M+K]+ 311.04286 157.6
[M+H-H2O]+ 255.07696 154.8
[M+HCOO]- 317.07790 184.3
[M+CH3COO]- 331.09355 193.8
[M+Na-2H]- 293.05437 165.3
[M]+ 272.07915 157.6
[M]- 272.08025 157.6
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