CID 306529

101971-72-6

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

10
Patents

272.0797 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.086976 158.4
[M+Na]+ 295.068918 164.0
[M-H]- 271.072424 165.2
[M+NH4]+ 290.113523 173.0
[M+K]+ 311.042858 157.6
[M+H-H2O]+ 255.076960 154.8
[M+HCOO]- 317.077901 184.3
[M+CH3COO]- 331.093551 193.8
[M+Na-2H]- 293.054366 165.3
[M]+ 272.07915142 157.6
[M]- 272.08024858 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