CID 6478003

Nsc687851

Structural Information

Molecular Formula

C₂₄H₂₃NO₄

SMILES

COC1=CC=C(C=C1)/C=C/2\C(=O)/C(=C\C3=CC=C(C=C3)OC)/CN(C2)C(=O)C=C

InChI

InChI=1S/C24H23NO4/c1-4-23(26)25-15-19(13-17-5-9-21(28-2)10-6-17)24(27)20(16-25)14-18-7-11-22(29-3)12-8-18/h4-14H,1,15-16H2,2-3H3/b19-13-,20-14-

InChIKey

HUKFHMCTPWIOSR-AXPXABNXSA-N

Compound name

(3Z,5Z)-3,5-bis[(4-methoxyphenyl)methylidene]-1-prop-2-enoylpiperidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 389.16272 Da
Monoisotopic Mass: 3.6
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]+	390.169996	194.1
[M+Na]+	412.151938	200.0
[M-H]-	388.155444	201.8
[M+NH4]+	407.196543	203.7
[M+K]+	428.125878	193.9
[M+H-H2O]+	372.159980	183.6
[M+HCOO]-	434.160921	211.4
[M+CH3COO]-	448.176571	221.0
[M+Na-2H]-	410.137386	191.8
[M]+	389.16217142	193.4
[M]-	389.16326858	193.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.