CID 437153

32212-38-7

Structural Information

Molecular Formula

C₁₄H₁₄N₂O

SMILES

CC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2N

InChI

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

InChIKey

ULNAKLMMGXHGJQ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 81
Patents: 226.11061 Da
Monoisotopic Mass: 3.3
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	150.8
[M+Na]+	249.09983	157.6
[M-H]-	225.10333	157.4
[M+NH4]+	244.14443	168.0
[M+K]+	265.07377	153.8
[M+H-H2O]+	209.10787	143.2
[M+HCOO]-	271.10881	176.0
[M+CH3COO]-	285.12446	195.0
[M+Na-2H]-	247.08528	155.9
[M]+	226.11006	148.3
[M]-	226.11116	148.3

Literature stripe

literature stripe

Patent stripe

patents stripe