CID 90341185

1443677-11-9

Structural Information

Molecular Formula
C7H6BrN3O
SMILES
C1C2=C(NC(=O)N1)N=CC(=C2)Br
InChI
InChI=1S/C7H6BrN3O/c8-5-1-4-2-10-7(12)11-6(4)9-3-5/h1,3H,2H2,(H2,9,10,11,12)
InChIKey
XZNHYIPNLCECEA-UHFFFAOYSA-N
Compound name
6-bromo-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

226.96942 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.976696 138.2
[M+Na]+ 249.958638 150.0
[M-H]- 225.962144 138.9
[M+NH4]+ 245.003243 155.9
[M+K]+ 265.932578 137.4
[M+H-H2O]+ 209.966680 137.7
[M+HCOO]- 271.967621 152.0
[M+CH3COO]- 285.983271 151.3
[M+Na-2H]- 247.944086 147.3
[M]+ 226.96887142 151.8
[M]- 226.96996858 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

patents stripe