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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	241.085066	152.9
[M+Na]+	263.067008	160.7
[M-H]-	239.070514	153.3
[M+NH4]+	258.111613	165.4
[M+K]+	279.040948	156.3
[M+H-H2O]+	223.075050	143.0
[M+HCOO]-	285.075991	163.4
[M+CH3COO]-	299.091641	189.6
[M+Na-2H]-	261.052456	156.8
[M]+	240.07724142	150.8
[M]-	240.07833858	150.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe