CID 40152233

938443-19-7

Structural Information

Molecular Formula
C7H4ClN3O2
SMILES
C1=CC(=NC2=C1C(=O)NC(=O)N2)Cl
InChI
InChI=1S/C7H4ClN3O2/c8-4-2-1-3-5(9-4)10-7(13)11-6(3)12/h1-2H,(H2,9,10,11,12,13)
InChIKey
DJHNDPHQSQMESD-UHFFFAOYSA-N
Compound name
7-chloro-1H-pyrido[2,3-d]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

196.9992 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.006476 134.6
[M+Na]+ 219.988418 147.5
[M-H]- 195.991924 133.3
[M+NH4]+ 215.033023 150.9
[M+K]+ 235.962358 141.1
[M+H-H2O]+ 179.996460 128.1
[M+HCOO]- 241.997401 148.8
[M+CH3COO]- 256.013051 147.4
[M+Na-2H]- 217.973866 143.5
[M]+ 196.99865142 134.9
[M]- 196.99974858 134.9
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