CID 43290

Dtxsid00975901

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	291.206706	171.0
[M+Na]+	313.188648	177.3
[M-H]-	289.192154	172.5
[M+NH4]+	308.233253	187.5
[M+K]+	329.162588	173.2
[M+H-H2O]+	273.196690	163.3
[M+HCOO]-	335.197631	192.6
[M+CH3COO]-	349.213281	204.6
[M+Na-2H]-	311.174096	173.9
[M]+	290.19888142	175.6
[M]-	290.19997858	175.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.