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 173.3
[M+Na]+ 343.05452 179.8
[M-H]- 319.05802 179.8
[M+NH4]+ 338.09912 189.5
[M+K]+ 359.02846 174.2
[M+H-H2O]+ 303.06256 166.2
[M+HCOO]- 365.06350 187.8
[M+CH3COO]- 379.07915 207.2
[M+Na-2H]- 341.03997 171.7
[M]+ 320.06475 176.1
[M]- 320.06585 176.1
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.