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 148.6
[M+Na]+ 260.04642 160.2
[M-H]- 236.04992 148.6
[M+NH4]+ 255.09102 163.9
[M+K]+ 276.02036 154.5
[M+H-H2O]+ 220.05446 141.3
[M+HCOO]- 282.05540 163.0
[M+CH3COO]- 296.07105 187.3
[M+Na-2H]- 258.03187 153.8
[M]+ 237.05665 152.2
[M]- 237.05775 152.2
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.