CID 17974723

491614-26-7

Structural Information

Molecular Formula
C13H16N2O4S
SMILES
CC1=C(C2=C(S1)N(C(=O)N(C2=O)C)C(C)C)C(=O)OC
InChI
InChI=1S/C13H16N2O4S/c1-6(2)15-11-9(10(16)14(4)13(15)18)8(7(3)20-11)12(17)19-5/h6H,1-5H3
InChIKey
MOBBVQRTKHTLCX-UHFFFAOYSA-N
Compound name
methyl 3,6-dimethyl-2,4-dioxo-1-propan-2-ylthieno[2,3-d]pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

296.08307 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.09035 168.0
[M+Na]+ 319.07229 180.6
[M+NH4]+ 314.11689 173.8
[M+K]+ 335.04623 176.0
[M-H]- 295.07579 167.4
[M+Na-2H]- 317.05774 170.0
[M]+ 296.08252 169.9
[M]- 296.08362 169.9
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

patents stripe