CID 86697561

1350925-20-0

Structural Information

Molecular Formula
C7H6ClN3O
SMILES
C1C(=O)NC2=C(N1)C=CC(=N2)Cl
InChI
InChI=1S/C7H6ClN3O/c8-5-2-1-4-7(10-5)11-6(12)3-9-4/h1-2,9H,3H2,(H,10,11,12)
InChIKey
KMJARQBZUOZMQM-UHFFFAOYSA-N
Compound name
6-chloro-2,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

183.01994 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.027216 135.2
[M+Na]+ 206.009158 144.9
[M-H]- 182.012664 132.7
[M+NH4]+ 201.053763 151.6
[M+K]+ 221.983098 139.0
[M+H-H2O]+ 166.017200 128.4
[M+HCOO]- 228.018141 146.1
[M+CH3COO]- 242.033791 146.5
[M+Na-2H]- 203.994606 142.8
[M]+ 183.01939142 131.5
[M]- 183.02048858 131.5
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