CID 28304

1,3-diazaadamantan-6-ol, 5,7-diphenyl-2-(2-furyl)-

Structural Information

Molecular Formula

C₂₄H₂₄N₂O₂

SMILES

C1C2(CN3CC(C2O)(CN1C3C4=CC=CO4)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C24H24N2O2/c27-22-23(18-8-3-1-4-9-18)14-25-16-24(22,19-10-5-2-6-11-19)17-26(15-23)21(25)20-12-7-13-28-20/h1-13,21-22,27H,14-17H2

InChIKey

JXIMVXSHZSUOLN-UHFFFAOYSA-N

Compound name

2-(furan-2-yl)-5,7-diphenyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 372.18378 Da
Monoisotopic Mass: 3.2
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]+	373.191056	178.0
[M+Na]+	395.172998	181.6
[M-H]-	371.176504	179.8
[M+NH4]+	390.217603	195.2
[M+K]+	411.146938	176.1
[M+H-H2O]+	355.181040	164.3
[M+HCOO]-	417.181981	182.0
[M+CH3COO]-	431.197631	184.7
[M+Na-2H]-	393.158446	185.9
[M]+	372.18323142	178.2
[M]-	372.18432858	178.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.