CID 104571334

Sodium 2-{6-ethylthieno[2,3-d]pyrimidin-4-yl}acetate

Structural Information

Molecular Formula
C10H10N2O2S
SMILES
CCC1=CC2=C(N=CN=C2S1)CC(=O)O
InChI
InChI=1S/C10H10N2O2S/c1-2-6-3-7-8(4-9(13)14)11-5-12-10(7)15-6/h3,5H,2,4H2,1H3,(H,13,14)
InChIKey
GEFRLAQBBOPEAJ-UHFFFAOYSA-N
Compound name
2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.0463 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.05358 146.8
[M+Na]+ 245.03552 159.3
[M+NH4]+ 240.08012 154.6
[M+K]+ 261.00946 153.4
[M-H]- 221.03902 147.2
[M+Na-2H]- 243.02097 151.4
[M]+ 222.04575 149.0
[M]- 222.04685 149.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.