CID 45790040

6-chloro-1h,2h,3h,4h-pyrido[2,3-b]pyrazine

Structural Information

Molecular Formula
C7H8ClN3
SMILES
C1CNC2=C(N1)C=CC(=N2)Cl
InChI
InChI=1S/C7H8ClN3/c8-6-2-1-5-7(11-6)10-4-3-9-5/h1-2,9H,3-4H2,(H,10,11)
InChIKey
CGLFWSRMJVZEGU-UHFFFAOYSA-N
Compound name
6-chloro-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

169.04068 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.047956 132.8
[M+Na]+ 192.029898 141.3
[M-H]- 168.033404 129.8
[M+NH4]+ 187.074503 149.6
[M+K]+ 208.003838 135.5
[M+H-H2O]+ 152.037940 125.8
[M+HCOO]- 214.038881 143.3
[M+CH3COO]- 228.054531 143.8
[M+Na-2H]- 190.015346 141.1
[M]+ 169.04013142 127.9
[M]- 169.04122858 127.9
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