CID 2431651

571149-28-5

Structural Information

Molecular Formula
C10H10N2O3S
SMILES
CC1=C(SC2=C1C(=O)NC(=N2)C)C(=O)OC
InChI
InChI=1S/C10H10N2O3S/c1-4-6-8(13)11-5(2)12-9(6)16-7(4)10(14)15-3/h1-3H3,(H,11,12,13)
InChIKey
ISTGAOWVGNDLHJ-UHFFFAOYSA-N
Compound name
methyl 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.04121 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.048486 148.1
[M+Na]+ 261.030428 161.1
[M-H]- 237.033934 150.7
[M+NH4]+ 256.075033 167.0
[M+K]+ 277.004368 157.1
[M+H-H2O]+ 221.038470 142.6
[M+HCOO]- 283.039411 165.2
[M+CH3COO]- 297.055061 187.5
[M+Na-2H]- 259.015876 150.0
[M]+ 238.04066142 154.8
[M]- 238.04175858 154.8
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.