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

22
Patents

207.04663 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.05391 140.9
[M+Na]+ 230.03585 153.3
[M-H]- 206.03935 142.5
[M+NH4]+ 225.08045 158.3
[M+K]+ 246.00979 149.0
[M+H-H2O]+ 190.04389 133.7
[M+HCOO]- 252.04483 156.7
[M+CH3COO]- 266.06048 154.2
[M+Na-2H]- 228.02130 147.0
[M]+ 207.04608 145.3
[M]- 207.04718 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