CID 3033120

56604-91-2

Structural Information

Molecular Formula

C₁₄H₁₇NO

SMILES

C/C(=C(/C)\C(=O)NCC=C)/C1=CC=CC=C1

InChI

InChI=1S/C14H17NO/c1-4-10-15-14(16)12(3)11(2)13-8-6-5-7-9-13/h4-9H,1,10H2,2-3H3,(H,15,16)/b12-11+

InChIKey

GCLBGKOMNXDAFZ-VAWYXSNFSA-N

Compound name

(E)-2-methyl-3-phenyl-N-prop-2-enylbut-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 215.13101 Da
Monoisotopic Mass: 3.3
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]+	216.138286	152.0
[M+Na]+	238.120228	156.6
[M-H]-	214.123734	155.0
[M+NH4]+	233.164833	170.0
[M+K]+	254.094168	153.6
[M+H-H2O]+	198.128270	145.5
[M+HCOO]-	260.129211	173.8
[M+CH3COO]-	274.144861	191.9
[M+Na-2H]-	236.105676	154.0
[M]+	215.13046142	150.2
[M]-	215.13155858	150.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.