CID 258233

Piperazine, 1-(2-chlorophenyl)-4-(3-pyridinylcarbonyl)-, monohydrochloride

Structural Information

Molecular Formula
C16H16ClN3O
SMILES
C1CN(CCN1C2=CC=CC=C2Cl)C(=O)C3=CN=CC=C3
InChI
InChI=1S/C16H16ClN3O/c17-14-5-1-2-6-15(14)19-8-10-20(11-9-19)16(21)13-4-3-7-18-12-13/h1-7,12H,8-11H2
InChIKey
KLWCNVBEDACIBN-UHFFFAOYSA-N
Compound name
[4-(2-chlorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

301.09818 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.10546 169.2
[M+Na]+ 324.08740 175.6
[M-H]- 300.09090 173.6
[M+NH4]+ 319.13200 180.0
[M+K]+ 340.06134 169.3
[M+H-H2O]+ 284.09544 158.1
[M+HCOO]- 346.09638 180.4
[M+CH3COO]- 360.11203 178.5
[M+Na-2H]- 322.07285 172.5
[M]+ 301.09763 166.3
[M]- 301.09873 166.3
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