CID 237277

156809-90-4

Structural Information

Molecular Formula
C19H23ClN2O
SMILES
C1CN(CCN1CC2=CC=CC=C2)CC(C3=CC=C(C=C3)Cl)O
InChI
InChI=1S/C19H23ClN2O/c20-18-8-6-17(7-9-18)19(23)15-22-12-10-21(11-13-22)14-16-4-2-1-3-5-16/h1-9,19,23H,10-15H2
InChIKey
XBIUJADNHMADBP-UHFFFAOYSA-N
Compound name
2-(4-benzylpiperazin-1-yl)-1-(4-chlorophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

330.1499 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.15718 180.2
[M+Na]+ 353.13912 195.1
[M+NH4]+ 348.18372 188.6
[M+K]+ 369.11306 185.8
[M-H]- 329.14262 185.6
[M+Na-2H]- 351.12457 189.3
[M]+ 330.14935 184.2
[M]- 330.15045 184.2
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