CID 1234763

211244-81-4

Structural Information

Molecular Formula
C8H7N3OS
SMILES
CSC1=NC=C2C=CC(=O)NC2=N1
InChI
InChI=1S/C8H7N3OS/c1-13-8-9-4-5-2-3-6(12)10-7(5)11-8/h2-4H,1H3,(H,9,10,11,12)
InChIKey
WPUAPGRZGJOIBX-UHFFFAOYSA-N
Compound name
2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

263
Patents

193.03099 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.03827 136.6
[M+Na]+ 216.02021 148.2
[M-H]- 192.02371 136.6
[M+NH4]+ 211.06481 153.5
[M+K]+ 231.99415 143.1
[M+H-H2O]+ 176.02825 129.7
[M+HCOO]- 238.02919 151.3
[M+CH3COO]- 252.04484 149.3
[M+Na-2H]- 214.00566 143.5
[M]+ 193.03044 138.4
[M]- 193.03154 138.4
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

patents stripe