CID 3076847

Brn 4199913

Structural Information

Molecular Formula
C15H16N2O2S2
SMILES
CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=S)NC
InChI
InChI=1S/C15H16N2O2S2/c1-3-19-14(18)12-11(10-7-5-4-6-8-10)9-21-13(12)17-15(20)16-2/h4-9H,3H2,1-2H3,(H2,16,17,20)
InChIKey
GHUNMSMWUMHIJJ-UHFFFAOYSA-N
Compound name
ethyl 2-(methylcarbamothioylamino)-4-phenylthiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

320.0653 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.07258 172.0
[M+Na]+ 343.05452 180.8
[M+NH4]+ 338.09912 179.6
[M+K]+ 359.02846 173.0
[M-H]- 319.05802 175.9
[M+Na-2H]- 341.03997 177.3
[M]+ 320.06475 175.0
[M]- 320.06585 175.0
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

No patent data available for this compound.