CID 2824598

Ethyl n-[2-(1h-indol-3-yl)ethylcarbamothioyl]carbamate

Structural Information

Molecular Formula
C14H17N3O2S
SMILES
CCOC(=O)NC(=S)NCCC1=CNC2=CC=CC=C21
InChI
InChI=1S/C14H17N3O2S/c1-2-19-14(18)17-13(20)15-8-7-10-9-16-12-6-4-3-5-11(10)12/h3-6,9,16H,2,7-8H2,1H3,(H2,15,17,18,20)
InChIKey
DFEIHVJJGNYTHR-UHFFFAOYSA-N
Compound name
ethyl N-[2-(1H-indol-3-yl)ethylcarbamothioyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

291.10416 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.111436 166.0
[M+Na]+ 314.093378 172.7
[M-H]- 290.096884 168.0
[M+NH4]+ 309.137983 182.6
[M+K]+ 330.067318 167.9
[M+H-H2O]+ 274.101420 159.0
[M+HCOO]- 336.102361 183.9
[M+CH3COO]- 350.118011 199.9
[M+Na-2H]- 312.078826 168.4
[M]+ 291.10361142 168.6
[M]- 291.10470858 168.6
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.