CID 205880

Piperazine, 1-(o-chlorobenzyl)-4-(phenylacetyl)-, hydrochloride

Structural Information

Molecular Formula
C19H21ClN2O
SMILES
C1CN(CCN1CC2=CC=CC=C2Cl)C(=O)CC3=CC=CC=C3
InChI
InChI=1S/C19H21ClN2O/c20-18-9-5-4-8-17(18)15-21-10-12-22(13-11-21)19(23)14-16-6-2-1-3-7-16/h1-9H,10-15H2
InChIKey
BGZPVILMNVKBNH-UHFFFAOYSA-N
Compound name
1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-2-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.13425 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.14153 178.8
[M+Na]+ 351.12347 194.3
[M+NH4]+ 346.16807 187.3
[M+K]+ 367.09741 184.7
[M-H]- 327.12697 184.5
[M+Na-2H]- 349.10892 188.4
[M]+ 328.13370 183.0
[M]- 328.13480 183.0
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.