CID 41503

55654-91-6

Structural Information

Molecular Formula

C₁₈H₂₀N₂O

SMILES

CN1C=C(C2=CC=CC=C21)C(CNCC3=CC=CC=C3)O

InChI

InChI=1S/C18H20N2O/c1-20-13-16(15-9-5-6-10-17(15)20)18(21)12-19-11-14-7-3-2-4-8-14/h2-10,13,18-19,21H,11-12H2,1H3

InChIKey

LUVRZHFKFRDWDK-UHFFFAOYSA-N

Compound name

2-(benzylamino)-1-(1-methylindol-3-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 280.15756 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]+	281.164836	165.4
[M+Na]+	303.146778	172.8
[M-H]-	279.150284	170.7
[M+NH4]+	298.191383	181.9
[M+K]+	319.120718	167.2
[M+H-H2O]+	263.154820	157.2
[M+HCOO]-	325.155761	187.9
[M+CH3COO]-	339.171411	176.9
[M+Na-2H]-	301.132226	170.2
[M]+	280.15701142	166.5
[M]-	280.15810858	166.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe