PubChemLite - Fluperamide hydrochloride (C30H32ClF3N2O2)

Structural Information

Molecular Formula

SMILES

CN(C)C(=O)C(CCN1CCC(CC1)(C2=CC(=C(C=C2)Cl)C(F)(F)F)O)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C30H32ClF3N2O2/c1-35(2)27(37)29(22-9-5-3-6-10-22,23-11-7-4-8-12-23)17-20-36-18-15-28(38,16-19-36)24-13-14-26(31)25(21-24)30(32,33)34/h3-14,21,38H,15-20H2,1-2H3

InChIKey

WPYGCZCMGMVGNO-UHFFFAOYSA-N

Compound name

4-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide

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]+	545.21773	230.2
[M+Na]+	567.19967	233.4
[M-H]-	543.20317	235.7
[M+NH4]+	562.24427	235.1
[M+K]+	583.17361	226.2
[M+H-H2O]+	527.20771	216.1
[M+HCOO]-	589.20865	234.6
[M+CH3COO]-	603.22430	248.4
[M+Na-2H]-	565.18512	229.0
[M]+	544.20990	225.7
[M]-	544.21100	225.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

545.21773

230.2

[M+Na]+

567.19967

233.4

[M-H]-

543.20317

235.7

[M+NH4]+

562.24427

235.1

[M+K]+

583.17361

226.2

[M+H-H2O]+

527.20771

216.1

[M+HCOO]-

589.20865

234.6

[M+CH3COO]-

603.22430

248.4

[M+Na-2H]-

565.18512

229.0

[M]+

544.20990

225.7

[M]-

544.21100

225.7

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

Fluperamide hydrochloride

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe