CID 417608

1218-40-2

Structural Information

Molecular Formula

C₁₅H₂₂N₂O

SMILES

CCN(CC)CCC1=CNC2=C1C=C(C=C2)OC

InChI

InChI=1S/C15H22N2O/c1-4-17(5-2)9-8-12-11-16-15-7-6-13(18-3)10-14(12)15/h6-7,10-11,16H,4-5,8-9H2,1-3H3

InChIKey

KGDVJQQWCDDEPP-UHFFFAOYSA-N

Compound name

N,N-diethyl-2-(5-methoxy-1H-indol-3-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 205
Patents: 246.17322 Da
Monoisotopic Mass: 2.2
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]+	247.180496	158.7
[M+Na]+	269.162438	166.6
[M-H]-	245.165944	162.1
[M+NH4]+	264.207043	177.9
[M+K]+	285.136378	163.2
[M+H-H2O]+	229.170480	151.4
[M+HCOO]-	291.171421	182.3
[M+CH3COO]-	305.187071	199.1
[M+Na-2H]-	267.147886	163.1
[M]+	246.17267142	163.1
[M]-	246.17376858	163.1

Literature stripe

literature stripe

Patent stripe

patents stripe