CID 2763729

82000-54-2

Structural Information

Molecular Formula
C9H10N2O2S2
SMILES
CCOC(=O)C1=C(C2=C(SN=C2S1)C)N
InChI
InChI=1S/C9H10N2O2S2/c1-3-13-9(12)7-6(10)5-4(2)15-11-8(5)14-7/h3,10H2,1-2H3
InChIKey
WRIWXKCVJAGUIR-UHFFFAOYSA-N
Compound name
ethyl 4-amino-3-methylthieno[2,3-c][1,2]thiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.01837 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.02565 152.1
[M+Na]+ 265.00759 161.5
[M+NH4]+ 260.05219 160.3
[M+K]+ 280.98153 156.3
[M-H]- 241.01109 153.2
[M+Na-2H]- 262.99304 154.2
[M]+ 242.01782 154.4
[M]- 242.01892 154.4
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.