CID 45597

3-(2-(diisobutylamino)ethyl)indole monohydrochloride

Structural Information

Molecular Formula
C18H28N2
SMILES
CC(C)CN(CCC1=CNC2=CC=CC=C21)CC(C)C
InChI
InChI=1S/C18H28N2/c1-14(2)12-20(13-15(3)4)10-9-16-11-19-18-8-6-5-7-17(16)18/h5-8,11,14-15,19H,9-10,12-13H2,1-4H3
InChIKey
WMLQALOMNLJRCX-UHFFFAOYSA-N
Compound name
N-[2-(1H-indol-3-yl)ethyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

272.22525 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.23253 168.9
[M+Na]+ 295.21447 179.7
[M+NH4]+ 290.25907 177.0
[M+K]+ 311.18841 174.3
[M-H]- 271.21797 171.3
[M+Na-2H]- 293.19992 173.7
[M]+ 272.22470 171.0
[M]- 272.22580 171.0
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

patents stripe