CID 27848

N,n-dibutyltryptamine

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
2
Annotation Hits

4
References

121
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 169.5
[M+Na]+ 295.21447 175.1
[M-H]- 271.21797 171.8
[M+NH4]+ 290.25907 187.2
[M+K]+ 311.18841 170.4
[M+H-H2O]+ 255.22251 161.4
[M+HCOO]- 317.22345 191.8
[M+CH3COO]- 331.23910 204.9
[M+Na-2H]- 293.19992 172.9
[M]+ 272.22470 173.1
[M]- 272.22580 173.1
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.