CID 79301925

7-bromo-3-methyl-1h,2h,3h,4h-pyrido[2,3-b]pyrazin-2-one

Structural Information

Molecular Formula
C8H8BrN3O
SMILES
CC1C(=O)NC2=C(N1)N=CC(=C2)Br
InChI
InChI=1S/C8H8BrN3O/c1-4-8(13)12-6-2-5(9)3-10-7(6)11-4/h2-4H,1H3,(H,10,11)(H,12,13)
InChIKey
BTHACVPWDJRCGM-UHFFFAOYSA-N
Compound name
7-bromo-3-methyl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.98508 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.99236 143.0
[M+Na]+ 263.97430 155.2
[M-H]- 239.97780 143.9
[M+NH4]+ 259.01890 160.4
[M+K]+ 279.94824 142.4
[M+H-H2O]+ 223.98234 142.4
[M+HCOO]- 285.98328 156.4
[M+CH3COO]- 299.99893 156.0
[M+Na-2H]- 261.95975 150.8
[M]+ 240.98453 157.2
[M]- 240.98563 157.2
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.