CID 43288

N-ethyl-n-(4'-acetoxybutyl)-5-methoxytryptamine 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]+ 333.21728 182.9
[M+Na]+ 355.19922 188.6
[M-H]- 331.20272 185.6
[M+NH4]+ 350.24382 198.1
[M+K]+ 371.17316 185.4
[M+H-H2O]+ 315.20726 174.6
[M+HCOO]- 377.20820 204.6
[M+CH3COO]- 391.22385 214.5
[M+Na-2H]- 353.18467 184.0
[M]+ 332.20945 190.0
[M]- 332.21055 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.