CID 14015869

Schembl15970637

Structural Information

Molecular Formula

C₁₈H₂₅NO

SMILES

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

InChI

InChI=1S/C18H25NO/c1-2-3-4-5-6-7-11-14-18(20)19-16-15-17-12-9-8-10-13-17/h6-14H,2-5,15-16H2,1H3,(H,19,20)/b7-6+,14-11+

InChIKey

JDDRCLDJHAZTTI-WXGDJGGUSA-N

Compound name

(2E,4E)-N-(2-phenylethyl)deca-2,4-dienamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 271.1936 Da
Monoisotopic Mass: 5.0
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]+	272.20088	169.8
[M+Na]+	294.18282	173.3
[M-H]-	270.18632	171.8
[M+NH4]+	289.22742	185.7
[M+K]+	310.15676	168.2
[M+H-H2O]+	254.19086	162.2
[M+HCOO]-	316.19180	192.2
[M+CH3COO]-	330.20745	201.6
[M+Na-2H]-	292.16827	172.2
[M]+	271.19305	170.7
[M]-	271.19415	170.7

Literature stripe

literature stripe

Patent stripe

patents stripe