CID 3846837

2-chloro-3-(piperazin-1-yl)quinoxaline hydrochloride

Structural Information

Molecular Formula
C12H13ClN4
SMILES
C1CN(CCN1)C2=NC3=CC=CC=C3N=C2Cl
InChI
InChI=1S/C12H13ClN4/c13-11-12(17-7-5-14-6-8-17)16-10-4-2-1-3-9(10)15-11/h1-4,14H,5-8H2
InChIKey
MRDAZRADHJDBEF-UHFFFAOYSA-N
Compound name
2-chloro-3-piperazin-1-ylquinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

38
Patents

248.08287 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.09015 155.6
[M+Na]+ 271.07209 163.5
[M-H]- 247.07559 155.2
[M+NH4]+ 266.11669 168.0
[M+K]+ 287.04603 156.5
[M+H-H2O]+ 231.08013 145.2
[M+HCOO]- 293.08107 164.2
[M+CH3COO]- 307.09672 164.9
[M+Na-2H]- 269.05754 162.2
[M]+ 248.08232 151.1
[M]- 248.08342 151.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe