CID 28064966

2-chloro-6-[(4-methyl-1-piperazinyl)carbonyl]pyrazine

Structural Information

Molecular Formula
C10H13ClN4O
SMILES
CN1CCN(CC1)C(=O)C2=CN=CC(=N2)Cl
InChI
InChI=1S/C10H13ClN4O/c1-14-2-4-15(5-3-14)10(16)8-6-12-7-9(11)13-8/h6-7H,2-5H2,1H3
InChIKey
TYIKGLQLVOCHJU-UHFFFAOYSA-N
Compound name
(6-chloropyrazin-2-yl)-(4-methylpiperazin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

240.07779 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.08507 152.9
[M+Na]+ 263.06701 160.7
[M-H]- 239.07051 153.3
[M+NH4]+ 258.11161 165.4
[M+K]+ 279.04095 156.3
[M+H-H2O]+ 223.07505 143.0
[M+HCOO]- 285.07599 163.4
[M+CH3COO]- 299.09164 189.6
[M+Na-2H]- 261.05246 156.8
[M]+ 240.07724 150.8
[M]- 240.07834 150.8
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