CID 135741588

5,7-dichloropyrido[4,3-d]pyrimidin-4(3h)-one

Structural Information

Molecular Formula
C7H3Cl2N3O
SMILES
C1=C2C(=C(N=C1Cl)Cl)C(=O)NC=N2
InChI
InChI=1S/C7H3Cl2N3O/c8-4-1-3-5(6(9)12-4)7(13)11-2-10-3/h1-2H,(H,10,11,13)
InChIKey
RSFOPHFEGIMSKX-UHFFFAOYSA-N
Compound name
5,7-dichloro-3H-pyrido[4,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

214.96532 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.97260 136.3
[M+Na]+ 237.95454 149.5
[M-H]- 213.95804 135.4
[M+NH4]+ 232.99914 152.9
[M+K]+ 253.92848 143.0
[M+H-H2O]+ 197.96258 129.8
[M+HCOO]- 259.96352 146.3
[M+CH3COO]- 273.97917 148.9
[M+Na-2H]- 235.93999 144.8
[M]+ 214.96477 138.5
[M]- 214.96587 138.5
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