CID 23861

7384-94-3

Structural Information

Molecular Formula

C₁₅H₂₂N₂O

SMILES

CC(C)N(CCC1=CNC2=CC=CC=C21)CCO

InChI

InChI=1S/C15H22N2O/c1-12(2)17(9-10-18)8-7-13-11-16-15-6-4-3-5-14(13)15/h3-6,11-12,16,18H,7-10H2,1-2H3

InChIKey

WQDZBGYWISXSQQ-UHFFFAOYSA-N

Compound name

2-[2-(1H-indol-3-yl)ethyl-propan-2-ylamino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 246.17322 Da
Monoisotopic Mass: 2.6
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]+	247.18050	159.5
[M+Na]+	269.16244	165.7
[M-H]-	245.16594	161.2
[M+NH4]+	264.20704	177.5
[M+K]+	285.13638	161.9
[M+H-H2O]+	229.17048	152.3
[M+HCOO]-	291.17142	180.6
[M+CH3COO]-	305.18707	196.2
[M+Na-2H]-	267.14789	163.0
[M]+	246.17267	161.0
[M]-	246.17377	161.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe