CID 7331

4-methoxy-3-nitro-n-phenylbenzamide

Structural Information

Molecular Formula
C14H12N2O4
SMILES
COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C14H12N2O4/c1-20-13-8-7-10(9-12(13)16(18)19)14(17)15-11-5-3-2-4-6-11/h2-9H,1H3,(H,15,17)
InChIKey
YKOCPBMVMBUTAX-UHFFFAOYSA-N
Compound name
4-methoxy-3-nitro-N-phenylbenzamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

163
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