CID 32482

Brn 0928642

Structural Information

Molecular Formula

C₂₀H₂₃NO₃

SMILES

CCN(CC)CCOC(=O)C1(C2=CC=CC=C2C3=CC=CC=C31)O

InChI

InChI=1S/C20H23NO3/c1-3-21(4-2)13-14-24-19(22)20(23)17-11-7-5-9-15(17)16-10-6-8-12-18(16)20/h5-12,23H,3-4,13-14H2,1-2H3

InChIKey

FTNGRQDBVYPWDS-UHFFFAOYSA-N

Compound name

2-(diethylamino)ethyl 9-hydroxyfluorene-9-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 325.1678 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]+	326.175076	179.1
[M+Na]+	348.157018	185.8
[M-H]-	324.160524	184.3
[M+NH4]+	343.201623	198.7
[M+K]+	364.130958	182.2
[M+H-H2O]+	308.165060	172.3
[M+HCOO]-	370.166001	200.1
[M+CH3COO]-	384.181651	212.3
[M+Na-2H]-	346.142466	182.9
[M]+	325.16725142	183.7
[M]-	325.16834858	183.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.