PubChemLite - 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-((diphenylamino)methyl)-1-piperazineethanol (C35H39F2N3O)

Structural Information

Molecular Formula

SMILES

C1CN(CCN1CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)CC(CN(C4=CC=CC=C4)C5=CC=CC=C5)O

InChI

InChI=1S/C35H39F2N3O/c36-30-17-13-28(14-18-30)35(29-15-19-31(37)20-16-29)12-7-21-38-22-24-39(25-23-38)26-34(41)27-40(32-8-3-1-4-9-32)33-10-5-2-6-11-33/h1-6,8-11,13-20,34-35,41H,7,12,21-27H2

InChIKey

UFHNVHBLHIJXON-UHFFFAOYSA-N

Compound name

1-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-3-(N-phenylanilino)propan-2-ol

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]+	556.31338	238.0
[M+Na]+	578.29532	236.2
[M-H]-	554.29882	244.5
[M+NH4]+	573.33992	236.5
[M+K]+	594.26926	227.5
[M+H-H2O]+	538.30336	220.2
[M+HCOO]-	600.30430	247.0
[M+CH3COO]-	614.31995	239.7
[M+Na-2H]-	576.28077	233.1
[M]+	555.30555	230.2
[M]-	555.30665	230.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

556.31338

238.0

[M+Na]+

578.29532

236.2

[M-H]-

554.29882

244.5

[M+NH4]+

573.33992

236.5

[M+K]+

594.26926

227.5

[M+H-H2O]+

538.30336

220.2

[M+HCOO]-

600.30430

247.0

[M+CH3COO]-

614.31995

239.7

[M+Na-2H]-

576.28077

233.1

[M]+

555.30555

230.2

[M]-

555.30665

230.2

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

4-(4,4-bis(4-fluorophenyl)butyl)-alpha-((diphenylamino)methyl)-1-piperazineethanol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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