CID 237893

2-chloro-3-(piperidin-1-yl)quinoxaline

Structural Information

Molecular Formula
C13H14ClN3
SMILES
C1CCN(CC1)C2=NC3=CC=CC=C3N=C2Cl
InChI
InChI=1S/C13H14ClN3/c14-12-13(17-8-4-1-5-9-17)16-11-7-3-2-6-10(11)15-12/h2-3,6-7H,1,4-5,8-9H2
InChIKey
HDZLRVKTLOUROS-UHFFFAOYSA-N
Compound name
2-chloro-3-piperidin-1-ylquinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.08763 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.094906 155.0
[M+Na]+ 270.076848 162.9
[M-H]- 246.080354 157.3
[M+NH4]+ 265.121453 169.6
[M+K]+ 286.050788 156.8
[M+H-H2O]+ 230.084890 145.0
[M+HCOO]- 292.085831 166.3
[M+CH3COO]- 306.101481 165.5
[M+Na-2H]- 268.062296 161.6
[M]+ 247.08708142 152.3
[M]- 247.08817858 152.3
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

No patent data available for this compound.