CID 25090703

85702-59-6

Structural Information

Molecular Formula
C12H15N3O3S
SMILES
CCN1CC(C(=O)C2=CN=C(N=C21)SC)C(=O)OC
InChI
InChI=1S/C12H15N3O3S/c1-4-15-6-8(11(17)18-2)9(16)7-5-13-12(19-3)14-10(7)15/h5,8H,4,6H2,1-3H3
InChIKey
SUDFURBPZBYNKJ-UHFFFAOYSA-N
Compound name
methyl 8-ethyl-2-methylsulfanyl-5-oxo-6,7-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.0834 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.090676 162.0
[M+Na]+ 304.072618 171.3
[M-H]- 280.076124 162.6
[M+NH4]+ 299.117223 176.0
[M+K]+ 320.046558 167.8
[M+H-H2O]+ 264.080660 154.2
[M+HCOO]- 326.081601 173.4
[M+CH3COO]- 340.097251 199.8
[M+Na-2H]- 302.058066 163.2
[M]+ 281.08285142 166.4
[M]- 281.08394858 166.4
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.