CID 9543539

537034-15-4

Structural Information

Molecular Formula

C₁₉H₂₃N₃O₂

SMILES

C1=CC=C(C=C1)NC(=O)CCCCCC(=O)NC2=CC=CC=C2N

InChI

InChI=1S/C19H23N3O2/c20-16-11-7-8-12-17(16)22-19(24)14-6-2-5-13-18(23)21-15-9-3-1-4-10-15/h1,3-4,7-12H,2,5-6,13-14,20H2,(H,21,23)(H,22,24)

InChIKey

ZAIULUYKQLVQFH-UHFFFAOYSA-N

Compound name

N'-(2-aminophenyl)-N-phenylheptanediamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 146
Patents: 325.17902 Da
Monoisotopic Mass: 2.4
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]+	326.18630	178.8
[M+Na]+	348.16824	181.4
[M-H]-	324.17174	184.0
[M+NH4]+	343.21284	191.0
[M+K]+	364.14218	177.2
[M+H-H2O]+	308.17628	169.4
[M+HCOO]-	370.17722	202.7
[M+CH3COO]-	384.19287	215.7
[M+Na-2H]-	346.15369	181.3
[M]+	325.17847	176.9
[M]-	325.17957	176.9

Literature stripe

literature stripe

Patent stripe

patents stripe