CID 164617672

Chembl4855788

Structural Information

Molecular Formula

C₁₈H₂₇NO

SMILES

CCCCC/C=C\CCC(=O)NCCC1=CC=CC=C1

InChI

InChI=1S/C18H27NO/c1-2-3-4-5-6-7-11-14-18(20)19-16-15-17-12-9-8-10-13-17/h6-10,12-13H,2-5,11,14-16H2,1H3,(H,19,20)/b7-6-

InChIKey

LZZRSLNNCAXLCQ-SREVYHEPSA-N

Compound name

(Z)-N-(2-phenylethyl)dec-4-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 273.20926 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]+	274.21654	171.0
[M+Na]+	296.19848	174.1
[M-H]-	272.20198	172.9
[M+NH4]+	291.24308	186.8
[M+K]+	312.17242	169.6
[M+H-H2O]+	256.20652	163.3
[M+HCOO]-	318.20746	193.2
[M+CH3COO]-	332.22311	203.2
[M+Na-2H]-	294.18393	173.3
[M]+	273.20871	172.6
[M]-	273.20981	172.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.