CID 2393622

956452-97-4

Structural Information

Molecular Formula
C10H13NO3S2
SMILES
CCOC(=O)C1=C(SC2=C1CCCS2=O)N
InChI
InChI=1S/C10H13NO3S2/c1-2-14-9(12)7-6-4-3-5-16(13)10(6)15-8(7)11/h2-5,11H2,1H3
InChIKey
VBLGDXLIKPPCGJ-UHFFFAOYSA-N
Compound name
ethyl 2-amino-7-oxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

259.0337 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.04098 153.4
[M+Na]+ 282.02292 161.5
[M-H]- 258.02642 157.1
[M+NH4]+ 277.06752 173.4
[M+K]+ 297.99686 157.5
[M+H-H2O]+ 242.03096 148.7
[M+HCOO]- 304.03190 164.6
[M+CH3COO]- 318.04755 193.3
[M+Na-2H]- 280.00837 152.3
[M]+ 259.03315 155.6
[M]- 259.03425 155.6
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

patents stripe