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]+ 329.141526 178.0
[M+Na]+ 351.123468 183.1
[M-H]- 327.126974 183.3
[M+NH4]+ 346.168073 189.1
[M+K]+ 367.097408 176.3
[M+H-H2O]+ 311.131510 167.3
[M+HCOO]- 373.132451 189.6
[M+CH3COO]- 387.148101 186.8
[M+Na-2H]- 349.108916 179.6
[M]+ 328.13370142 175.8
[M]- 328.13479858 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.