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

21
Patents

238.96942 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.976696 138.4
[M+Na]+ 261.958638 153.0
[M-H]- 237.962144 141.3
[M+NH4]+ 257.003243 156.8
[M+K]+ 277.932578 140.6
[M+H-H2O]+ 221.966680 137.7
[M+HCOO]- 283.967621 155.9
[M+CH3COO]- 297.983271 153.2
[M+Na-2H]- 259.944086 148.8
[M]+ 238.96887142 157.0
[M]- 238.96996858 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