CID 120440

888-78-8

Structural Information

Molecular Formula

C₁₄H₁₄N₂O

SMILES

CC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)N

InChI

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

InChIKey

HARHPNGPIOLPBW-UHFFFAOYSA-N

Compound name

4-amino-N-(2-methylphenyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 14
Patents: 226.11061 Da
Monoisotopic Mass: 2.1
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]+	227.117886	150.8
[M+Na]+	249.099828	157.6
[M-H]-	225.103334	157.4
[M+NH4]+	244.144433	168.0
[M+K]+	265.073768	153.8
[M+H-H2O]+	209.107870	143.2
[M+HCOO]-	271.108811	176.0
[M+CH3COO]-	285.124461	195.0
[M+Na-2H]-	247.085276	155.9
[M]+	226.11006142	148.3
[M]-	226.11115858	148.3

Literature stripe

literature stripe

Patent stripe

patents stripe