CID 21659

5490-99-3

Structural Information

Molecular Formula

C₂₀H₂₄N₂S

SMILES

CC(CC1=CNC2=C1C=C(C=C2)SCC3=CC=CC=C3)N(C)C

InChI

InChI=1S/C20H24N2S/c1-15(22(2)3)11-17-13-21-20-10-9-18(12-19(17)20)23-14-16-7-5-4-6-8-16/h4-10,12-13,15,21H,11,14H2,1-3H3

InChIKey

NMWUUAWMROORFP-UHFFFAOYSA-N

Compound name

1-(5-benzylsulfanyl-1H-indol-3-yl)-N,N-dimethylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 324.16602 Da
Monoisotopic Mass: 4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	325.173296	177.9
[M+Na]+	347.155238	185.3
[M-H]-	323.158744	184.4
[M+NH4]+	342.199843	194.1
[M+K]+	363.129178	179.3
[M+H-H2O]+	307.163280	169.9
[M+HCOO]-	369.164221	195.0
[M+CH3COO]-	383.179871	188.7
[M+Na-2H]-	345.140686	178.4
[M]+	324.16547142	182.0
[M]-	324.16656858	182.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.