CID 198947

2-allyl-2-phenyl-4-pentenamide

Structural Information

Molecular Formula

C₁₄H₁₇NO

SMILES

C=CCC(CC=C)(C1=CC=CC=C1)C(=O)N

InChI

InChI=1S/C14H17NO/c1-3-10-14(11-4-2,13(15)16)12-8-6-5-7-9-12/h3-9H,1-2,10-11H2,(H2,15,16)

InChIKey

OLTOLZPJXXAQOK-UHFFFAOYSA-N

Compound name

2-phenyl-2-prop-2-enylpent-4-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 1
Patents: 215.13101 Da
Monoisotopic Mass: 2.8
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]+	216.13829	152.2
[M+Na]+	238.12023	162.6
[M+NH4]+	233.16483	159.2
[M+K]+	254.09417	156.2
[M-H]-	214.12373	153.4
[M+Na-2H]-	236.10568	157.6
[M]+	215.13046	153.8
[M]-	215.13156	153.8

Literature stripe

literature stripe

Patent stripe

patents stripe