CID 43290

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

Structural Information

Molecular Formula
C17H26N2O2
SMILES
CCN(CCCCO)CCC1=CNC2=C1C=C(C=C2)OC
InChI
InChI=1S/C17H26N2O2/c1-3-19(9-4-5-11-20)10-8-14-13-18-17-7-6-15(21-2)12-16(14)17/h6-7,12-13,18,20H,3-5,8-11H2,1-2H3
InChIKey
NNCURBWKGYHYFU-UHFFFAOYSA-N
Compound name
4-[ethyl-[2-(5-methoxy-1H-indol-3-yl)ethyl]amino]butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

290.19943 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.20671 171.0
[M+Na]+ 313.18865 177.3
[M-H]- 289.19215 172.5
[M+NH4]+ 308.23325 187.5
[M+K]+ 329.16259 173.2
[M+H-H2O]+ 273.19669 163.3
[M+HCOO]- 335.19763 192.6
[M+CH3COO]- 349.21328 204.6
[M+Na-2H]- 311.17410 173.9
[M]+ 290.19888 175.6
[M]- 290.19998 175.6
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.