CID 43286

N-ethyl-n-(4'-hydroxybutyl)-5-benzyloxytryptamine hydrochloride

Structural Information

Molecular Formula
C23H30N2O2
SMILES
CCN(CCCCO)CCC1=CNC2=C1C=C(C=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C23H30N2O2/c1-2-25(13-6-7-15-26)14-12-20-17-24-23-11-10-21(16-22(20)23)27-18-19-8-4-3-5-9-19/h3-5,8-11,16-17,24,26H,2,6-7,12-15,18H2,1H3
InChIKey
WHFIPWBJXSBZRG-UHFFFAOYSA-N
Compound name
4-[ethyl-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]amino]butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.23074 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.23802 192.9
[M+Na]+ 389.21996 205.1
[M+NH4]+ 384.26456 200.0
[M+K]+ 405.19390 198.0
[M-H]- 365.22346 196.9
[M+Na-2H]- 387.20541 199.4
[M]+ 366.23019 195.7
[M]- 366.23129 195.7
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.