CID 10750835

211244-87-0

Structural Information

Molecular Formula
C9H9N3OS
SMILES
CN1C(=O)C=CC2=CN=C(N=C21)SC
InChI
InChI=1S/C9H9N3OS/c1-12-7(13)4-3-6-5-10-9(14-2)11-8(6)12/h3-5H,1-2H3
InChIKey
VEGXMTDGCAFDAG-UHFFFAOYSA-N
Compound name
8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

207.04663 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.053906 140.9
[M+Na]+ 230.035848 153.3
[M-H]- 206.039354 142.5
[M+NH4]+ 225.080453 158.3
[M+K]+ 246.009788 149.0
[M+H-H2O]+ 190.043890 133.7
[M+HCOO]- 252.044831 156.7
[M+CH3COO]- 266.060481 154.2
[M+Na-2H]- 228.021296 147.0
[M]+ 207.04608142 145.3
[M]- 207.04717858 145.3
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