CID 130113597

7-bromo-3,4-dihydropyrido[3,4-b]pyrazin-2(1h)-one

Structural Information

Molecular Formula
C7H6BrN3O
SMILES
C1C(=O)NC2=CC(=NC=C2N1)Br
InChI
InChI=1S/C7H6BrN3O/c8-6-1-4-5(2-10-6)9-3-7(12)11-4/h1-2,9H,3H2,(H,11,12)
InChIKey
ATMORLRKVAAZEX-UHFFFAOYSA-N
Compound name
7-bromo-3,4-dihydro-1H-pyrido[3,4-b]pyrazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.96942 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.97670 138.2
[M+Na]+ 249.95864 150.0
[M-H]- 225.96214 138.9
[M+NH4]+ 245.00324 155.9
[M+K]+ 265.93258 137.4
[M+H-H2O]+ 209.96668 137.7
[M+HCOO]- 271.96762 152.0
[M+CH3COO]- 285.98327 151.3
[M+Na-2H]- 247.94409 147.3
[M]+ 226.96887 151.8
[M]- 226.96997 151.8
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.