CID 105478

P-heptylbiphenyl-p'-carboxamide

Structural Information

Molecular Formula

C₂₀H₂₅NO

SMILES

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)N

InChI

InChI=1S/C20H25NO/c1-2-3-4-5-6-7-16-8-10-17(11-9-16)18-12-14-19(15-13-18)20(21)22/h8-15H,2-7H2,1H3,(H2,21,22)

InChIKey

OTQJIVXAIVXUBV-UHFFFAOYSA-N

Compound name

4-(4-heptylphenyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 295.1936 Da
Monoisotopic Mass: 5.9
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]+	296.200876	174.2
[M+Na]+	318.182818	179.2
[M-H]-	294.186324	179.6
[M+NH4]+	313.227423	188.9
[M+K]+	334.156758	173.9
[M+H-H2O]+	278.190860	165.8
[M+HCOO]-	340.191801	196.3
[M+CH3COO]-	354.207451	208.6
[M+Na-2H]-	316.168266	175.6
[M]+	295.19305142	174.5
[M]-	295.19414858	174.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe