CID 27848

Indole, 3-(2-(dibutylamino)ethyl)-, monohydrochloride

Structural Information

Molecular Formula
C18H28N2
SMILES
CCCCN(CCCC)CCC1=CNC2=CC=CC=C21
InChI
InChI=1S/C18H28N2/c1-3-5-12-20(13-6-4-2)14-11-16-15-19-18-10-8-7-9-17(16)18/h7-10,15,19H,3-6,11-14H2,1-2H3
InChIKey
LZLJUZWFWYEQLY-UHFFFAOYSA-N
Compound name
N-butyl-N-[2-(1H-indol-3-yl)ethyl]butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

154
Patents

272.22525 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.23253 168.9
[M+Na]+ 295.21447 180.4
[M+NH4]+ 290.25907 177.2
[M+K]+ 311.18841 173.3
[M-H]- 271.21797 171.6
[M+Na-2H]- 293.19992 174.4
[M]+ 272.22470 171.2
[M]- 272.22580 171.2
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