CID 21659

5-benzylthio-3-(2-dimethylaminopropyl)indole

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.17330 177.9
[M+Na]+ 347.15524 185.3
[M-H]- 323.15874 184.4
[M+NH4]+ 342.19984 194.1
[M+K]+ 363.12918 179.3
[M+H-H2O]+ 307.16328 169.9
[M+HCOO]- 369.16422 195.0
[M+CH3COO]- 383.17987 188.7
[M+Na-2H]- 345.14069 178.4
[M]+ 324.16547 182.0
[M]- 324.16657 182.0
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.