CID 34208

Brn 1653825

Structural Information

Molecular Formula

C₁₈H₂₁NO

SMILES

C1CC2=CC=CC=C2CN(CC3=CC=CC=C31)CCO

InChI

InChI=1S/C18H21NO/c20-12-11-19-13-17-7-3-1-5-15(17)9-10-16-6-2-4-8-18(16)14-19/h1-8,20H,9-14H2

InChIKey

RHSFACGWDHFCDY-UHFFFAOYSA-N

Compound name

2-(5,7,12,13-tetrahydrobenzo[d][2]benzazonin-6-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 267.16232 Da
Monoisotopic Mass: 2.9
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]+	268.169596	194.6
[M+Na]+	290.151538	192.8
[M-H]-	266.155044	193.1
[M+NH4]+	285.196143	193.3
[M+K]+	306.125478	192.3
[M+H-H2O]+	250.159580	184.6
[M+HCOO]-	312.160521	194.0
[M+CH3COO]-	326.176171	194.6
[M+Na-2H]-	288.136986	195.6
[M]+	267.16177142	193.5
[M]-	267.16286858	193.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.