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]+ 337.13692 179.8
[M+Na]+ 359.11886 187.7
[M-H]- 335.12236 184.9
[M+NH4]+ 354.16346 194.8
[M+K]+ 375.09280 179.7
[M+H-H2O]+ 319.12690 172.0
[M+HCOO]- 381.12784 197.1
[M+CH3COO]- 395.14349 190.0
[M+Na-2H]- 357.10431 181.2
[M]+ 336.12909 182.5
[M]- 336.13019 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.