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

2
Annotation Hits: 0
References: 192
Patents: 272.0797 Da
Monoisotopic Mass: 2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe