CID 6158642

329778-46-3

Structural Information

Molecular Formula
C20H20N2OS
SMILES
CSC1=CC=C(C=C1)/C=C/C(=O)NCCC2=CNC3=CC=CC=C32
InChI
InChI=1S/C20H20N2OS/c1-24-17-9-6-15(7-10-17)8-11-20(23)21-13-12-16-14-22-19-5-3-2-4-18(16)19/h2-11,14,22H,12-13H2,1H3,(H,21,23)/b11-8+
InChIKey
MGWPZAIUUGOQSU-DHZHZOJOSA-N
Compound name
(E)-N-[2-(1H-indol-3-yl)ethyl]-3-(4-methylsulfanylphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.12964 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.136916 179.8
[M+Na]+ 359.118858 187.7
[M-H]- 335.122364 184.9
[M+NH4]+ 354.163463 194.8
[M+K]+ 375.092798 179.7
[M+H-H2O]+ 319.126900 172.0
[M+HCOO]- 381.127841 197.1
[M+CH3COO]- 395.143491 190.0
[M+Na-2H]- 357.104306 181.2
[M]+ 336.12909142 182.5
[M]- 336.13018858 182.5
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.