CID 474815

Chembl323295

Structural Information

Molecular Formula
C17H15NO5S
SMILES
CCOC(=O)C1=C(C2=C(S1)C=C(OC2=O)C3=CC=C(C=C3)OC)N
InChI
InChI=1S/C17H15NO5S/c1-3-22-17(20)15-14(18)13-12(24-15)8-11(23-16(13)19)9-4-6-10(21-2)7-5-9/h4-8H,3,18H2,1-2H3
InChIKey
HKRYTBINJQNPGP-UHFFFAOYSA-N
Compound name
ethyl 3-amino-6-(4-methoxyphenyl)-4-oxothieno[3,2-c]pyran-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.0671 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.07438 177.7
[M+Na]+ 368.05632 188.8
[M-H]- 344.05982 187.3
[M+NH4]+ 363.10092 193.1
[M+K]+ 384.03026 185.9
[M+H-H2O]+ 328.06436 171.0
[M+HCOO]- 390.06530 197.8
[M+CH3COO]- 404.08095 211.7
[M+Na-2H]- 366.04177 179.1
[M]+ 345.06655 187.1
[M]- 345.06765 187.1
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.