CID 14011047

69496-75-9

Structural Information

Molecular Formula

C₁₇H₂₆N₂O

SMILES

CCCN(CCC)CCC1=CNC2=C1C=C(C=C2)OC

InChI

InChI=1S/C17H26N2O/c1-4-9-19(10-5-2)11-8-14-13-18-17-7-6-15(20-3)12-16(14)17/h6-7,12-13,18H,4-5,8-11H2,1-3H3

InChIKey

PNHPVNBKLQWBKH-UHFFFAOYSA-N

Compound name

N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-propylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 154
Patents: 274.2045 Da
Monoisotopic Mass: 3.3
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]+	275.211776	168.1
[M+Na]+	297.193718	175.0
[M-H]-	273.197224	171.0
[M+NH4]+	292.238323	186.0
[M+K]+	313.167658	171.1
[M+H-H2O]+	257.201760	160.3
[M+HCOO]-	319.202701	191.0
[M+CH3COO]-	333.218351	205.1
[M+Na-2H]-	295.179166	171.4
[M]+	274.20395142	173.2
[M]-	274.20504858	173.2

Literature stripe

literature stripe

Patent stripe

patents stripe