CID 6433185

Azaprocin

Structural Information

Molecular Formula

C₁₈H₂₄N₂O

SMILES

CCC(=O)N1C2CCC1CN(C2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C18H24N2O/c1-2-18(21)20-16-10-11-17(20)14-19(13-16)12-6-9-15-7-4-3-5-8-15/h3-9,16-17H,2,10-14H2,1H3/b9-6+

InChIKey

RKNSPEOBXHFNTD-RMKNXTFCSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 94
Patents: 284.18887 Da
Monoisotopic Mass: 2.8
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]+	285.196146	171.7
[M+Na]+	307.178088	176.3
[M-H]-	283.181594	173.7
[M+NH4]+	302.222693	187.9
[M+K]+	323.152028	171.1
[M+H-H2O]+	267.186130	162.9
[M+HCOO]-	329.187071	186.2
[M+CH3COO]-	343.202721	201.5
[M+Na-2H]-	305.163536	172.0
[M]+	284.18832142	168.8
[M]-	284.18941858	168.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.