CID 136980669

1650574-62-1

Structural Information

Molecular Formula
C7H4ClN3O
SMILES
C1=C2C(=CN=C1Cl)C(=O)NC=N2
InChI
InChI=1S/C7H4ClN3O/c8-6-1-5-4(2-9-6)7(12)11-3-10-5/h1-3H,(H,10,11,12)
InChIKey
DVECITGQRKHHAF-UHFFFAOYSA-N
Compound name
7-chloro-3H-pyrido[4,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

181.00429 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.01157 131.4
[M+Na]+ 203.99351 143.7
[M-H]- 179.99701 131.1
[M+NH4]+ 199.03811 148.9
[M+K]+ 219.96745 138.2
[M+H-H2O]+ 164.00155 124.4
[M+HCOO]- 226.00249 146.7
[M+CH3COO]- 240.01814 144.7
[M+Na-2H]- 201.97896 141.6
[M]+ 181.00374 132.4
[M]- 181.00484 132.4
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