CID 137276602

5-methylpyrido[2,3-d]pyrimidin-4(3h)-one

Structural Information

Molecular Formula
C8H7N3O
SMILES
CC1=C2C(=O)NC=NC2=NC=C1
InChI
InChI=1S/C8H7N3O/c1-5-2-3-9-7-6(5)8(12)11-4-10-7/h2-4H,1H3,(H,9,10,11,12)
InChIKey
KKLSUHOXMLRXCQ-UHFFFAOYSA-N
Compound name
5-methyl-3H-pyrido[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

161.05891 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.066186 131.3
[M+Na]+ 184.048128 142.6
[M-H]- 160.051634 131.2
[M+NH4]+ 179.092733 148.8
[M+K]+ 200.022068 138.4
[M+H-H2O]+ 144.056170 123.8
[M+HCOO]- 206.057111 151.0
[M+CH3COO]- 220.072761 144.6
[M+Na-2H]- 182.033576 141.5
[M]+ 161.05836142 130.9
[M]- 161.05945858 130.9
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