CID 9106586

4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid

Structural Information

Molecular Formula
C11H12N2O4S
SMILES
CC1=C(SC2=NC(=NC(=C12)OC)COC)C(=O)O
InChI
InChI=1S/C11H12N2O4S/c1-5-7-9(17-3)12-6(4-16-2)13-10(7)18-8(5)11(14)15/h4H2,1-3H3,(H,14,15)
InChIKey
WEWPTOYLCJSCJK-UHFFFAOYSA-N
Compound name
4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

268.0518 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.059076 155.8
[M+Na]+ 291.041018 167.6
[M-H]- 267.044524 158.0
[M+NH4]+ 286.085623 173.2
[M+K]+ 307.014958 164.7
[M+H-H2O]+ 251.049060 149.8
[M+HCOO]- 313.050001 172.5
[M+CH3COO]- 327.065651 194.0
[M+Na-2H]- 289.026466 157.5
[M]+ 268.05125142 165.0
[M]- 268.05234858 165.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.