CID 16227627

3-ethyl-2-sulfanyl-3h,4h-pyrido[2,3-d]pyrimidin-4-one

Structural Information

Molecular Formula
C9H9N3OS
SMILES
CCN1C(=O)C2=C(NC1=S)N=CC=C2
InChI
InChI=1S/C9H9N3OS/c1-2-12-8(13)6-4-3-5-10-7(6)11-9(12)14/h3-5H,2H2,1H3,(H,10,11,14)
InChIKey
UVAOLWHLRUPPKX-UHFFFAOYSA-N
Compound name
3-ethyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.04663 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.053906 141.0
[M+Na]+ 230.035848 153.2
[M-H]- 206.039354 141.2
[M+NH4]+ 225.080453 157.6
[M+K]+ 246.009788 147.3
[M+H-H2O]+ 190.043890 134.1
[M+HCOO]- 252.044831 155.4
[M+CH3COO]- 266.060481 153.6
[M+Na-2H]- 228.021296 146.5
[M]+ 207.04608142 142.8
[M]- 207.04717858 142.8
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

No patent data available for this compound.