CID 18787

N-acetylbenzidine

Structural Information

Molecular Formula

C₁₄H₁₄N₂O

SMILES

CC(=O)NC1=CC=C(C=C1)C2=CC=C(C=C2)N

InChI

InChI=1S/C14H14N2O/c1-10(17)16-14-8-4-12(5-9-14)11-2-6-13(15)7-3-11/h2-9H,15H2,1H3,(H,16,17)

InChIKey

DZQXBXZZSKPMDV-UHFFFAOYSA-N

Compound name

N-[4-(4-aminophenyl)phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 28
References: 33
Patents: 226.11061 Da
Monoisotopic Mass: 1.7
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]+	227.11789	152.0
[M+Na]+	249.09983	165.2
[M+NH4]+	244.14443	160.6
[M+K]+	265.07377	158.0
[M-H]-	225.10333	157.6
[M+Na-2H]-	247.08528	161.2
[M]+	226.11006	155.4
[M]-	226.11116	155.4

Literature stripe

literature stripe

Patent stripe

patents stripe