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

33
Patents

183.01994 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.02722 135.2
[M+Na]+ 206.00916 144.9
[M-H]- 182.01266 132.7
[M+NH4]+ 201.05376 151.6
[M+K]+ 221.98310 139.0
[M+H-H2O]+ 166.01720 128.4
[M+HCOO]- 228.01814 146.1
[M+CH3COO]- 242.03379 146.5
[M+Na-2H]- 203.99461 142.8
[M]+ 183.01939 131.5
[M]- 183.02049 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