CID 105479

P-pentylbiphenyl-p'-carboxamide

Structural Information

Molecular Formula

C₁₈H₂₁NO

SMILES

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)N

InChI

InChI=1S/C18H21NO/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18(19)20/h6-13H,2-5H2,1H3,(H2,19,20)

InChIKey

QKZLRKYRAYGYOV-UHFFFAOYSA-N

Compound name

4-(4-pentylphenyl)benzamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2
Patents: 267.16232 Da
Monoisotopic Mass: 4.8
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]+	268.16960	165.7
[M+Na]+	290.15154	179.3
[M+NH4]+	285.19614	174.1
[M+K]+	306.12548	170.8
[M-H]-	266.15504	171.0
[M+Na-2H]-	288.13699	174.3
[M]+	267.16177	169.2
[M]-	267.16287	169.2

Literature stripe

literature stripe

Patent stripe

patents stripe