CID 49639

67227-25-2

Structural Information

Molecular Formula

C₂₃H₂₇NO₂

SMILES

CN1CCC(CC1)CCCOC(=O)C2C3=CC=CC=C3C4=CC=CC=C24

InChI

InChI=1S/C23H27NO2/c1-24-14-12-17(13-15-24)7-6-16-26-23(25)22-20-10-4-2-8-18(20)19-9-3-5-11-21(19)22/h2-5,8-11,17,22H,6-7,12-16H2,1H3

InChIKey

JSUXKSJSXVTNGO-UHFFFAOYSA-N

Compound name

3-(1-methylpiperidin-4-yl)propyl 9H-fluorene-9-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 349.2042 Da
Monoisotopic Mass: 4.6
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]+	350.211476	187.3
[M+Na]+	372.193418	191.9
[M-H]-	348.196924	193.0
[M+NH4]+	367.238023	202.4
[M+K]+	388.167358	186.1
[M+H-H2O]+	332.201460	177.9
[M+HCOO]-	394.202401	202.6
[M+CH3COO]-	408.218051	196.2
[M+Na-2H]-	370.178866	187.1
[M]+	349.20365142	186.2
[M]-	349.20474858	186.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.