CID 59067

Brn 0412717

Structural Information

Molecular Formula

C₁₈H₂₈N₂O

SMILES

CCCCCCN1C=C(C2=CC=CC=C21)C(CN(C)C)O

InChI

InChI=1S/C18H28N2O/c1-4-5-6-9-12-20-13-16(18(21)14-19(2)3)15-10-7-8-11-17(15)20/h7-8,10-11,13,18,21H,4-6,9,12,14H2,1-3H3

InChIKey

XNQSVSPIPVCVEC-UHFFFAOYSA-N

Compound name

2-(dimethylamino)-1-(1-hexylindol-3-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 288.22015 Da
Monoisotopic Mass: 3.5
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]+	289.227426	173.5
[M+Na]+	311.209368	179.6
[M-H]-	287.212874	176.3
[M+NH4]+	306.253973	190.7
[M+K]+	327.183308	176.0
[M+H-H2O]+	271.217410	165.6
[M+HCOO]-	333.218351	194.9
[M+CH3COO]-	347.234001	208.9
[M+Na-2H]-	309.194816	174.9
[M]+	288.21960142	178.2
[M]-	288.22069858	178.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe