CID 3079856

Brn 3560700

Structural Information

Molecular Formula
C15H17N3O3S
SMILES
CCOC(=O)C1=C2C(=NC(=C1)C)N=C(N(C2=O)C)SCC=C
InChI
InChI=1S/C15H17N3O3S/c1-5-7-22-15-17-12-11(13(19)18(15)4)10(8-9(3)16-12)14(20)21-6-2/h5,8H,1,6-7H2,2-4H3
InChIKey
BLEBCMJGSNWUPW-UHFFFAOYSA-N
Compound name
ethyl 3,7-dimethyl-4-oxo-2-prop-2-enylsulfanylpyrido[2,3-d]pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.09906 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.10634 172.1
[M+Na]+ 342.08828 183.3
[M-H]- 318.09178 173.4
[M+NH4]+ 337.13288 185.0
[M+K]+ 358.06222 178.0
[M+H-H2O]+ 302.09632 164.1
[M+HCOO]- 364.09726 185.5
[M+CH3COO]- 378.11291 208.5
[M+Na-2H]- 340.07373 173.0
[M]+ 319.09851 180.0
[M]- 319.09961 180.0
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.