CID 137190191

6-bromo-2-methylpyrido[2,3-d]pyrimidin-4(3h)-one

Structural Information

Molecular Formula
C8H6BrN3O
SMILES
CC1=NC2=C(C=C(C=N2)Br)C(=O)N1
InChI
InChI=1S/C8H6BrN3O/c1-4-11-7-6(8(13)12-4)2-5(9)3-10-7/h2-3H,1H3,(H,10,11,12,13)
InChIKey
XUFFFYNXLJKFHN-UHFFFAOYSA-N
Compound name
6-bromo-2-methyl-3H-pyrido[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

238.96942 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.97670 138.4
[M+Na]+ 261.95864 153.0
[M-H]- 237.96214 141.3
[M+NH4]+ 257.00324 156.8
[M+K]+ 277.93258 140.6
[M+H-H2O]+ 221.96668 137.7
[M+HCOO]- 283.96762 155.9
[M+CH3COO]- 297.98327 153.2
[M+Na-2H]- 259.94409 148.8
[M]+ 238.96887 157.0
[M]- 238.96997 157.0
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