CID 3658

Hydroxyzine

Structural Information

Molecular Formula

C₂₁H₂₇ClN₂O₂

SMILES

C1CN(CCN1CCOCCO)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H27ClN2O2/c22-20-8-6-19(7-9-20)21(18-4-2-1-3-5-18)24-12-10-23(11-13-24)14-16-26-17-15-25/h1-9,21,25H,10-17H2

InChIKey

ZQDWXGKKHFNSQK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 1545
References: 45958
Patents: 374.17612 Da
Monoisotopic Mass: 3.7
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]+	375.18340	190.1
[M+Na]+	397.16534	193.4
[M-H]-	373.16884	193.7
[M+NH4]+	392.20994	198.6
[M+K]+	413.13928	186.6
[M+H-H2O]+	357.17338	179.1
[M+HCOO]-	419.17432	199.5
[M+CH3COO]-	433.18997	213.4
[M+Na-2H]-	395.15079	190.4
[M]+	374.17557	188.8
[M]-	374.17667	188.8

Literature stripe

literature stripe

Patent stripe

patents stripe