CID 4961635

Ethyl 2-amino-4h,5h,7h-thieno[2,3-c]thiopyran-3-carboxylate

Structural Information

Molecular Formula
C10H13NO2S2
SMILES
CCOC(=O)C1=C(SC2=C1CCSC2)N
InChI
InChI=1S/C10H13NO2S2/c1-2-13-10(12)8-6-3-4-14-5-7(6)15-9(8)11/h2-5,11H2,1H3
InChIKey
BUBJJJMGHWCARG-UHFFFAOYSA-N
Compound name
ethyl 2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

42
Patents

243.03877 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.04605 150.3
[M+Na]+ 266.02799 157.8
[M-H]- 242.03149 153.8
[M+NH4]+ 261.07259 171.0
[M+K]+ 282.00193 153.9
[M+H-H2O]+ 226.03603 145.5
[M+HCOO]- 288.03697 161.3
[M+CH3COO]- 302.05262 190.8
[M+Na-2H]- 264.01344 149.6
[M]+ 243.03822 151.5
[M]- 243.03932 151.5
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

patents stripe