CID 32133

Beta-(p-chlorophenyl)phenethyl 4-(2-hydroxypropyl)piperazinyl ketone

Structural Information

Molecular Formula
C22H27ClN2O2
SMILES
CC(CN1CCN(CC1)C(=O)CC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)O
InChI
InChI=1S/C22H27ClN2O2/c1-17(26)16-24-11-13-25(14-12-24)22(27)15-21(18-5-3-2-4-6-18)19-7-9-20(23)10-8-19/h2-10,17,21,26H,11-16H2,1H3
InChIKey
ZDYQGTMZQNUITE-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-1-[4-(2-hydroxypropyl)piperazin-1-yl]-3-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.17612 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.18340 192.6
[M+Na]+ 409.16534 195.2
[M-H]- 385.16884 196.4
[M+NH4]+ 404.20994 200.5
[M+K]+ 425.13928 188.8
[M+H-H2O]+ 369.17338 182.1
[M+HCOO]- 431.17432 200.1
[M+CH3COO]- 445.18997 216.7
[M+Na-2H]- 407.15079 190.3
[M]+ 386.17557 189.9
[M]- 386.17667 189.9
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.