CID 535672

1-(2,3'-dichlorobenzhydryl)-4-(2-hydroxyethyl)piperazine dihydrochloride

Structural Information

Molecular Formula
C19H22Cl2N2O
SMILES
C1CN(CCN1CCO)C(C2=CC(=CC=C2)Cl)C3=CC=CC=C3Cl
InChI
InChI=1S/C19H22Cl2N2O/c20-16-5-3-4-15(14-16)19(17-6-1-2-7-18(17)21)23-10-8-22(9-11-23)12-13-24/h1-7,14,19,24H,8-13H2
InChIKey
GKEHZQGLUFPXBD-UHFFFAOYSA-N
Compound name
2-[4-[(2-chlorophenyl)-(3-chlorophenyl)methyl]piperazin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.11093 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.11821 183.6
[M+Na]+ 387.10015 189.2
[M-H]- 363.10365 187.0
[M+NH4]+ 382.14475 193.4
[M+K]+ 403.07409 181.3
[M+H-H2O]+ 347.10819 173.8
[M+HCOO]- 409.10913 188.5
[M+CH3COO]- 423.12478 191.3
[M+Na-2H]- 385.08560 183.4
[M]+ 364.11038 182.1
[M]- 364.11148 182.1
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

patents stripe