CID 20112423

3-chloro-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-1-one

Structural Information

Molecular Formula
C12H16ClN3O
SMILES
C1CN(CCN1C2=CC=CC=N2)C(=O)CCCl
InChI
InChI=1S/C12H16ClN3O/c13-5-4-12(17)16-9-7-15(8-10-16)11-3-1-2-6-14-11/h1-3,6H,4-5,7-10H2
InChIKey
FJEZAOCOLXYADV-UHFFFAOYSA-N
Compound name
3-chloro-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

253.09819 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.105466 157.0
[M+Na]+ 276.087408 162.9
[M-H]- 252.090914 158.1
[M+NH4]+ 271.132013 170.1
[M+K]+ 292.061348 158.3
[M+H-H2O]+ 236.095450 147.4
[M+HCOO]- 298.096391 168.3
[M+CH3COO]- 312.112041 191.5
[M+Na-2H]- 274.072856 160.7
[M]+ 253.09764142 154.8
[M]- 253.09873858 154.8
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