CID 43288

Indole, 3-(2-(n-(4'-acetoxybutyl)-n-ethylamino)ethyl)-5-methoxy-, hydrochloride

Structural Information

Molecular Formula
C19H28N2O3
SMILES
CCN(CCCCOC(=O)C)CCC1=CNC2=C1C=C(C=C2)OC
InChI
InChI=1S/C19H28N2O3/c1-4-21(10-5-6-12-24-15(2)22)11-9-16-14-20-19-8-7-17(23-3)13-18(16)19/h7-8,13-14,20H,4-6,9-12H2,1-3H3
InChIKey
MDACDHCPCFBPHD-UHFFFAOYSA-N
Compound name
4-[ethyl-[2-(5-methoxy-1H-indol-3-yl)ethyl]amino]butyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.21 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.217276 182.9
[M+Na]+ 355.199218 188.6
[M-H]- 331.202724 185.6
[M+NH4]+ 350.243823 198.1
[M+K]+ 371.173158 185.4
[M+H-H2O]+ 315.207260 174.6
[M+HCOO]- 377.208201 204.6
[M+CH3COO]- 391.223851 214.5
[M+Na-2H]- 353.184666 184.0
[M]+ 332.20945142 190.0
[M]- 332.21054858 190.0
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.