CID 12624212

5h,6h-pyrido[4,3-d]pyrimidin-5-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

249
Patents

147.04326 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.050536 126.4
[M+Na]+ 170.032478 137.1
[M-H]- 146.035984 126.0
[M+NH4]+ 165.077083 144.1
[M+K]+ 186.006418 133.1
[M+H-H2O]+ 130.040520 118.8
[M+HCOO]- 192.041461 146.4
[M+CH3COO]- 206.057111 139.7
[M+Na-2H]- 168.017926 137.8
[M]+ 147.04271142 125.2
[M]- 147.04380858 125.2
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