CID 2393687

Methyl 2-{5,6-dimethyl-4-oxo-3h,4h-thieno[2,3-d]pyrimidin-2-yl}acetate

Structural Information

Molecular Formula
C11H12N2O3S
SMILES
CC1=C(SC2=C1C(=O)NC(=N2)CC(=O)OC)C
InChI
InChI=1S/C11H12N2O3S/c1-5-6(2)17-11-9(5)10(15)12-7(13-11)4-8(14)16-3/h4H2,1-3H3,(H,12,13,15)
InChIKey
HAHGFZCGLMLOCV-UHFFFAOYSA-N
Compound name
methyl 2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

252.05687 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.06415 152.7
[M+Na]+ 275.04609 165.2
[M-H]- 251.04959 155.0
[M+NH4]+ 270.09069 171.0
[M+K]+ 291.02003 161.0
[M+H-H2O]+ 235.05413 146.9
[M+HCOO]- 297.05507 169.4
[M+CH3COO]- 311.07072 190.5
[M+Na-2H]- 273.03154 154.0
[M]+ 252.05632 159.7
[M]- 252.05742 159.7
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