CID 43286

Indole, 5-benzyloxy-3-(2-(n-ethyl-n-(4'-hydroxybutyl)amino)ethyl)-, 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]+ 367.238016 191.1
[M+Na]+ 389.219958 195.9
[M-H]- 365.223464 195.3
[M+NH4]+ 384.264563 203.8
[M+K]+ 405.193898 189.9
[M+H-H2O]+ 349.228000 181.6
[M+HCOO]- 411.228941 211.9
[M+CH3COO]- 425.244591 218.2
[M+Na-2H]- 387.205406 193.2
[M]+ 366.23019142 195.1
[M]- 366.23128858 195.1
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.