CID 755419

Piperazine, 1-(3-chlorophenyl)-4-(3-pyridinylcarbonyl)-, dihydrochloride

Structural Information

Molecular Formula
C16H16ClN3O
SMILES
C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)C3=CN=CC=C3
InChI
InChI=1S/C16H16ClN3O/c17-14-4-1-5-15(11-14)19-7-9-20(10-8-19)16(21)13-3-2-6-18-12-13/h1-6,11-12H,7-10H2
InChIKey
KUQGCIZZBKJVTC-UHFFFAOYSA-N
Compound name
[4-(3-chlorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
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 169.3
[M+Na]+ 324.08740 185.2
[M+NH4]+ 319.13200 177.4
[M+K]+ 340.06134 176.5
[M-H]- 300.09090 174.2
[M+Na-2H]- 322.07285 179.2
[M]+ 301.09763 173.3
[M]- 301.09873 173.3
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