CID 211216

22662-35-7

Structural Information

Molecular Formula
C19H21ClN2O
SMILES
C1CN(CCN1CCC(=O)C2=CC=CC=C2)C3=CC=CC=C3Cl
InChI
InChI=1S/C19H21ClN2O/c20-17-8-4-5-9-18(17)22-14-12-21(13-15-22)11-10-19(23)16-6-2-1-3-7-16/h1-9H,10-15H2
InChIKey
NCLLHIIDGKNHRA-UHFFFAOYSA-N
Compound name
3-[4-(2-chlorophenyl)piperazin-1-yl]-1-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

328.13425 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.14153 178.0
[M+Na]+ 351.12347 183.1
[M-H]- 327.12697 183.3
[M+NH4]+ 346.16807 189.1
[M+K]+ 367.09741 176.3
[M+H-H2O]+ 311.13151 167.3
[M+HCOO]- 373.13245 189.6
[M+CH3COO]- 387.14810 186.8
[M+Na-2H]- 349.10892 179.6
[M]+ 328.13370 175.8
[M]- 328.13480 175.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.