CID 17974723

Methyl 1-isopropyl-3,6-dimethyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-5-carboxylate

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 162.2
[M+Na]+ 319.07229 175.5
[M-H]- 295.07579 166.4
[M+NH4]+ 314.11689 179.7
[M+K]+ 335.04623 172.3
[M+H-H2O]+ 279.08033 156.5
[M+HCOO]- 341.08127 178.9
[M+CH3COO]- 355.09692 203.8
[M+Na-2H]- 317.05774 161.0
[M]+ 296.08252 172.7
[M]- 296.08362 172.7
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