CID 10012049

Pyrido[2,3-d]pyrimidin-7(8h)-one

Structural Information

Molecular Formula
C7H5N3O
SMILES
C1=CC(=O)NC2=NC=NC=C21
InChI
InChI=1S/C7H5N3O/c11-6-2-1-5-3-8-4-9-7(5)10-6/h1-4H,(H,8,9,10,11)
InChIKey
WDHAAJIGSXNPFO-UHFFFAOYSA-N
Compound name
8H-pyrido[2,3-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

1451
Patents

147.04326 Da
Monoisotopic Mass

-0.1
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

literature stripe

Patent stripe

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