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]+ 215.972596 136.3
[M+Na]+ 237.954538 149.5
[M-H]- 213.958044 135.4
[M+NH4]+ 232.999143 152.9
[M+K]+ 253.928478 143.0
[M+H-H2O]+ 197.962580 129.8
[M+HCOO]- 259.963521 146.3
[M+CH3COO]- 273.979171 148.9
[M+Na-2H]- 235.939986 144.8
[M]+ 214.96477142 138.5
[M]- 214.96586858 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