PubChemLite - Nsc657301 (C24H23Cl4NO2)

Structural Information

Molecular Formula

SMILES

CCN1CCC(C(C1)C(=O)/C=C/C2=CC(=C(C=C2)Cl)Cl)(/C=C/C3=CC(=C(C=C3)Cl)Cl)O

InChI

InChI=1S/C24H23Cl4NO2/c1-2-29-12-11-24(31,10-9-17-4-7-20(26)22(28)14-17)18(15-29)23(30)8-5-16-3-6-19(25)21(27)13-16/h3-10,13-14,18,31H,2,11-12,15H2,1H3/b8-5+,10-9+

InChIKey

YRBWBEXXOCPDNK-CPSCNVPRSA-N

Compound name

(E)-3-(3,4-dichlorophenyl)-1-[4-[(E)-2-(3,4-dichlorophenyl)ethenyl]-1-ethyl-4-hydroxypiperidin-3-yl]prop-2-en-1-one

Related CIDs

2D Structure

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]+	498.05556	208.1
[M+Na]+	520.03750	215.6
[M-H]-	496.04100	210.8
[M+NH4]+	515.08210	216.8
[M+K]+	536.01144	206.4
[M+H-H2O]+	480.04554	201.0
[M+HCOO]-	542.04648	203.3
[M+CH3COO]-	556.06213	232.6
[M+Na-2H]-	518.02295	202.7
[M]+	497.04773	208.6
[M]-	497.04883	208.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

498.05556

208.1

[M+Na]+

520.03750

215.6

[M-H]-

496.04100

210.8

[M+NH4]+

515.08210

216.8

[M+K]+

536.01144

206.4

[M+H-H2O]+

480.04554

201.0

[M+HCOO]-

542.04648

203.3

[M+CH3COO]-

556.06213

232.6

[M+Na-2H]-

518.02295

202.7

[M]+

497.04773

208.6

[M]-

497.04883

208.6

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Nsc657301

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe