CID 12624212

Pyrido[4,3-d]pyrimidin-5(6h)-one

Structural Information

Molecular Formula
C7H5N3O
SMILES
C1=CNC(=O)C2=CN=CN=C21
InChI
InChI=1S/C7H5N3O/c11-7-5-3-8-4-10-6(5)1-2-9-7/h1-4H,(H,9,11)
InChIKey
CSBPQHGADOHBPJ-UHFFFAOYSA-N
Compound name
6H-pyrido[4,3-d]pyrimidin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

266
Patents

147.04326 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.05054 126.7
[M+Na]+ 170.03248 141.8
[M+NH4]+ 165.07708 134.8
[M+K]+ 186.00642 135.2
[M-H]- 146.03598 127.5
[M+Na-2H]- 168.01793 134.7
[M]+ 147.04271 129.0
[M]- 147.04381 129.0
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