CID 45584

N,n-dibenzyltryptamine hydrochloride

Structural Information

Molecular Formula
C24H24N2
SMILES
C1=CC=C(C=C1)CN(CCC2=CNC3=CC=CC=C32)CC4=CC=CC=C4
InChI
InChI=1S/C24H24N2/c1-3-9-20(10-4-1)18-26(19-21-11-5-2-6-12-21)16-15-22-17-25-24-14-8-7-13-23(22)24/h1-14,17,25H,15-16,18-19H2
InChIKey
WEWPMAKQEUSKPV-UHFFFAOYSA-N
Compound name
N,N-dibenzyl-2-(1H-indol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

26
Patents

340.19394 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.20122 182.6
[M+Na]+ 363.18316 188.1
[M-H]- 339.18666 191.2
[M+NH4]+ 358.22776 196.2
[M+K]+ 379.15710 180.7
[M+H-H2O]+ 323.19120 172.1
[M+HCOO]- 385.19214 205.4
[M+CH3COO]- 399.20779 192.6
[M+Na-2H]- 361.16861 187.5
[M]+ 340.19339 182.8
[M]- 340.19449 182.8
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