CID 206116

42882-67-7

Structural Information

Molecular Formula

C₂₀H₃₀N₂O₃

SMILES

CCOC(=O)N1CCN(CC1)CC(C2=CC3=C(CCCCC3)C=C2)O

InChI

InChI=1S/C20H30N2O3/c1-2-25-20(24)22-12-10-21(11-13-22)15-19(23)18-9-8-16-6-4-3-5-7-17(16)14-18/h8-9,14,19,23H,2-7,10-13,15H2,1H3

InChIKey

FYMOZKDNERRWBQ-UHFFFAOYSA-N

Compound name

ethyl 4-[2-hydroxy-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethyl]piperazine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 346.22565 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]+	347.232926	182.4
[M+Na]+	369.214868	182.8
[M-H]-	345.218374	184.9
[M+NH4]+	364.259473	191.9
[M+K]+	385.188808	183.5
[M+H-H2O]+	329.222910	173.1
[M+HCOO]-	391.223851	192.0
[M+CH3COO]-	405.239501	210.4
[M+Na-2H]-	367.200316	181.4
[M]+	346.22510142	174.6
[M]-	346.22619858	174.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.