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]+ 276.149516 161.5
[M+Na]+ 298.131458 172.2
[M-H]- 274.134964 166.0
[M+NH4]+ 293.176063 179.2
[M+K]+ 314.105398 163.7
[M+H-H2O]+ 258.139500 154.0
[M+HCOO]- 320.140441 183.5
[M+CH3COO]- 334.156091 173.4
[M+Na-2H]- 296.116906 166.4
[M]+ 275.14169142 161.4
[M]- 275.14278858 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.