CID 2763729

Ethyl 4-amino-3-methylthieno[2,3-c][1,2]thiazole-5-carboxylate

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 150.2
[M+Na]+ 265.00759 162.4
[M-H]- 241.01109 154.7
[M+NH4]+ 260.05219 172.3
[M+K]+ 280.98153 158.7
[M+H-H2O]+ 225.01563 145.9
[M+HCOO]- 287.01657 165.5
[M+CH3COO]- 301.03222 190.9
[M+Na-2H]- 262.99304 149.2
[M]+ 242.01782 157.2
[M]- 242.01892 157.2
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.