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]+ 241.085066 152.5
[M+Na]+ 263.067008 159.3
[M-H]- 239.070514 152.5
[M+NH4]+ 258.111613 164.7
[M+K]+ 279.040948 154.9
[M+H-H2O]+ 223.075050 142.2
[M+HCOO]- 285.075991 163.0
[M+CH3COO]- 299.091641 162.3
[M+Na-2H]- 261.052456 157.2
[M]+ 240.07724142 150.0
[M]- 240.07833858 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