CID 2375612

Brn 4200423

Structural Information

Molecular Formula
C16H18N2O2S2
SMILES
CCNC(=S)NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)OCC
InChI
InChI=1S/C16H18N2O2S2/c1-3-17-16(21)18-14-13(15(19)20-4-2)12(10-22-14)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3,(H2,17,18,21)
InChIKey
LQGIQJACWAZACY-UHFFFAOYSA-N
Compound name
ethyl 2-(ethylcarbamothioylamino)-4-phenylthiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

334.08096 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.08824 177.4
[M+Na]+ 357.07018 183.5
[M-H]- 333.07368 183.7
[M+NH4]+ 352.11478 193.1
[M+K]+ 373.04412 177.7
[M+H-H2O]+ 317.07822 170.1
[M+HCOO]- 379.07916 191.6
[M+CH3COO]- 393.09481 210.1
[M+Na-2H]- 355.05563 175.4
[M]+ 334.08041 180.6
[M]- 334.08151 180.6
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.