CID 51164

5-(3-indolyl)tryptamine hydrochloride

Structural Information

Molecular Formula
C18H17N3
SMILES
C1=CC=C2C(=C1)C(=CN2)C3=CC4=C(C=C3)NC=C4CCN
InChI
InChI=1S/C18H17N3/c19-8-7-13-10-20-18-6-5-12(9-15(13)18)16-11-21-17-4-2-1-3-14(16)17/h1-6,9-11,20-21H,7-8,19H2
InChIKey
DUIHQKNLFWUZRA-UHFFFAOYSA-N
Compound name
2-[5-(1H-indol-3-yl)-1H-indol-3-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.14224 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.14952 161.5
[M+Na]+ 298.13146 172.2
[M-H]- 274.13496 166.0
[M+NH4]+ 293.17606 179.2
[M+K]+ 314.10540 163.7
[M+H-H2O]+ 258.13950 154.0
[M+HCOO]- 320.14044 183.5
[M+CH3COO]- 334.15609 173.4
[M+Na-2H]- 296.11691 166.4
[M]+ 275.14169 161.4
[M]- 275.14279 161.4
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

No patent data available for this compound.