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

1546
References

45406
Patents

374.17612 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

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

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.