CID 3419898

109806-71-5

Structural Information

Molecular Formula

C₁₉H₂₃ClN₂O

SMILES

C1CN(CCN1CCO)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H23ClN2O/c20-18-8-6-17(7-9-18)19(16-4-2-1-3-5-16)22-12-10-21(11-13-22)14-15-23/h1-9,19,23H,10-15H2

InChIKey

ZJQSBXXYLQGZBR-UHFFFAOYSA-N

Compound name

2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethanol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 102
Patents: 330.1499 Da
Monoisotopic Mass: 3.8
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]+	331.15718	178.7
[M+Na]+	353.13912	183.0
[M-H]-	329.14262	182.6
[M+NH4]+	348.18372	189.1
[M+K]+	369.11306	176.0
[M+H-H2O]+	313.14716	168.3
[M+HCOO]-	375.14810	188.6
[M+CH3COO]-	389.16375	186.8
[M+Na-2H]-	351.12457	180.0
[M]+	330.14935	175.4
[M]-	330.15045	175.4

Literature stripe

literature stripe

Patent stripe

patents stripe