CID 3065048

106486-55-9

Structural Information

Molecular Formula

C₁₆H₁₉NO₂

SMILES

CCC1(CCC(=O)N(C1=O)CC=C)C2=CC=CC=C2

InChI

InChI=1S/C16H19NO2/c1-3-12-17-14(18)10-11-16(4-2,15(17)19)13-8-6-5-7-9-13/h3,5-9H,1,4,10-12H2,2H3

InChIKey

AWINRQPVVMUJOV-UHFFFAOYSA-N

Compound name

3-ethyl-3-phenyl-1-prop-2-enylpiperidine-2,6-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 257.14157 Da
Monoisotopic Mass: 2.6
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]+	258.148846	158.9
[M+Na]+	280.130788	166.1
[M-H]-	256.134294	163.9
[M+NH4]+	275.175393	176.4
[M+K]+	296.104728	161.9
[M+H-H2O]+	240.138830	151.3
[M+HCOO]-	302.139771	178.0
[M+CH3COO]-	316.155421	196.3
[M+Na-2H]-	278.116236	162.1
[M]+	257.14102142	157.2
[M]-	257.14211858	157.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.