CID 3018508

74441-06-8

Structural Information

Molecular Formula

C₁₄H₁₃N₃O₂

SMILES

C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)N)N

InChI

InChI=1S/C14H13N3O2/c15-11-5-1-10(2-6-11)14(19)17-12-7-3-9(4-8-12)13(16)18/h1-8H,15H2,(H2,16,18)(H,17,19)

InChIKey

FSPYMSUDIVFOHY-UHFFFAOYSA-N

Compound name

4-amino-N-(4-carbamoylphenyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 82
Patents: 255.10077 Da
Monoisotopic Mass: 0.8
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]+	256.10805	157.2
[M+Na]+	278.08999	163.1
[M-H]-	254.09349	163.3
[M+NH4]+	273.13459	172.3
[M+K]+	294.06393	159.6
[M+H-H2O]+	238.09803	149.1
[M+HCOO]-	300.09897	182.2
[M+CH3COO]-	314.11462	202.1
[M+Na-2H]-	276.07544	160.5
[M]+	255.10022	153.1
[M]-	255.10132	153.1

Literature stripe

literature stripe

Patent stripe

patents stripe