CID 155893575

4-chloro-5h,6h,7h,8h-pyrido[3,4-d]pyrimidin-8-one

Structural Information

Molecular Formula
C7H6ClN3O
SMILES
C1CNC(=O)C2=C1C(=NC=N2)Cl
InChI
InChI=1S/C7H6ClN3O/c8-6-4-1-2-9-7(12)5(4)10-3-11-6/h3H,1-2H2,(H,9,12)
InChIKey
GWFJWPRIRPTDEV-UHFFFAOYSA-N
Compound name
4-chloro-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.01994 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.027216 134.6
[M+Na]+ 206.009158 144.7
[M-H]- 182.012664 133.5
[M+NH4]+ 201.053763 151.7
[M+K]+ 221.983098 139.8
[M+H-H2O]+ 166.017200 127.5
[M+HCOO]- 228.018141 147.0
[M+CH3COO]- 242.033791 146.7
[M+Na-2H]- 203.994606 142.7
[M]+ 183.01939142 132.7
[M]- 183.02048858 132.7
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

No patent data available for this compound.