CID 6437879

63977-70-8

Structural Information

Molecular Formula

C₂₀H₂₈N₂O₂

SMILES

CCC(=O)N1CC2CCC(C1)N2C/C=C/C3=CC=C(C=C3)OCC

InChI

InChI=1S/C20H28N2O2/c1-3-20(23)21-14-17-9-10-18(15-21)22(17)13-5-6-16-7-11-19(12-8-16)24-4-2/h5-8,11-12,17-18H,3-4,9-10,13-15H2,1-2H3/b6-5+

InChIKey

IZHBNGWJQRGLSY-AATRIKPKSA-N

Compound name

1-[8-[(E)-3-(4-ethoxyphenyl)prop-2-enyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 328.2151 Da
Monoisotopic Mass: 3.1
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]+	329.222376	183.8
[M+Na]+	351.204318	188.2
[M-H]-	327.207824	185.7
[M+NH4]+	346.248923	198.4
[M+K]+	367.178258	183.2
[M+H-H2O]+	311.212360	174.8
[M+HCOO]-	373.213301	197.8
[M+CH3COO]-	387.228951	210.7
[M+Na-2H]-	349.189766	182.5
[M]+	328.21455142	183.4
[M]-	328.21564858	183.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.