CID 45791363

2-chloro-1-[4-(pyrazin-2-yl)piperazin-1-yl]ethan-1-one hydrochloride

Structural Information

Molecular Formula
C10H13ClN4O
SMILES
C1CN(CCN1C2=NC=CN=C2)C(=O)CCl
InChI
InChI=1S/C10H13ClN4O/c11-7-10(16)15-5-3-14(4-6-15)9-8-12-1-2-13-9/h1-2,8H,3-7H2
InChIKey
ZHVCNMHQMSKTNS-UHFFFAOYSA-N
Compound name
2-chloro-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

240.07779 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.08507 152.1
[M+Na]+ 263.06701 165.5
[M+NH4]+ 258.11161 159.1
[M+K]+ 279.04095 158.9
[M-H]- 239.07051 153.3
[M+Na-2H]- 261.05246 159.2
[M]+ 240.07724 154.4
[M]- 240.07834 154.4
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