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

6
Patents

253.09819 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.10547 156.8
[M+Na]+ 276.08741 170.2
[M+NH4]+ 271.13201 164.4
[M+K]+ 292.06135 162.8
[M-H]- 252.09091 159.0
[M+Na-2H]- 274.07286 163.9
[M]+ 253.09764 159.5
[M]- 253.09874 159.5
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