CID 3244420

688793-17-1

Structural Information

Molecular Formula
C10H11N3O2S
SMILES
COCCN1C(=O)C2=C(NC1=S)N=CC=C2
InChI
InChI=1S/C10H11N3O2S/c1-15-6-5-13-9(14)7-3-2-4-11-8(7)12-10(13)16/h2-4H,5-6H2,1H3,(H,11,12,16)
InChIKey
AOIBLZXGLOLRJQ-UHFFFAOYSA-N
Compound name
3-(2-methoxyethyl)-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

237.0572 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.06448 150.6
[M+Na]+ 260.04642 164.8
[M+NH4]+ 255.09102 157.7
[M+K]+ 276.02036 156.2
[M-H]- 236.04992 151.0
[M+Na-2H]- 258.03187 155.8
[M]+ 237.05665 153.1
[M]- 237.05775 153.1
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

No patent data available for this compound.