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]+ 253.064146 152.7
[M+Na]+ 275.046088 165.2
[M-H]- 251.049594 155.0
[M+NH4]+ 270.090693 171.0
[M+K]+ 291.020028 161.0
[M+H-H2O]+ 235.054130 146.9
[M+HCOO]- 297.055071 169.4
[M+CH3COO]- 311.070721 190.5
[M+Na-2H]- 273.031536 154.0
[M]+ 252.05632142 159.7
[M]- 252.05741858 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