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 152.5
[M+Na]+ 263.06701 159.3
[M-H]- 239.07051 152.5
[M+NH4]+ 258.11161 164.7
[M+K]+ 279.04095 154.9
[M+H-H2O]+ 223.07505 142.2
[M+HCOO]- 285.07599 163.0
[M+CH3COO]- 299.09164 162.3
[M+Na-2H]- 261.05246 157.2
[M]+ 240.07724 150.0
[M]- 240.07834 150.0
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