CID 2861794

Brn 1388318

Structural Information

Molecular Formula
C13H18N2O2S2
SMILES
CCNC(=S)NC1=C(C2=C(S1)CCC2)C(=O)OCC
InChI
InChI=1S/C13H18N2O2S2/c1-3-14-13(18)15-11-10(12(16)17-4-2)8-6-5-7-9(8)19-11/h3-7H2,1-2H3,(H2,14,15,18)
InChIKey
YHDWJASHHIABTO-UHFFFAOYSA-N
Compound name
ethyl 2-(ethylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.08096 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.08824 168.5
[M+Na]+ 321.07018 173.8
[M+NH4]+ 316.11478 176.1
[M+K]+ 337.04412 168.8
[M-H]- 297.07368 169.7
[M+Na-2H]- 319.05563 169.0
[M]+ 298.08041 170.0
[M]- 298.08151 170.0
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.