CID 90341185

6-bromo-3,4-dihydropyrido[2,3-d]pyrimidin-2(1h)-one

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]+ 227.97670 141.4
[M+Na]+ 249.95864 144.7
[M+NH4]+ 245.00324 145.3
[M+K]+ 265.93258 145.0
[M-H]- 225.96214 140.0
[M+Na-2H]- 247.94409 143.3
[M]+ 226.96887 140.0
[M]- 226.96997 140.0
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