CID 155858731

2580239-45-6

Structural Information

Molecular Formula

C₂₄H₂₃NO₄

SMILES

C1C(CN1C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C56CC(C5)(C6)C(=O)O

InChI

InChI=1S/C24H23NO4/c26-21(27)24-12-23(13-24,14-24)15-9-25(10-15)22(28)29-11-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,15,20H,9-14H2,(H,26,27)

InChIKey

GKYCXBRPRYTMQD-UHFFFAOYSA-N

Compound name

3-[1-(9H-fluoren-9-ylmethoxycarbonyl)azetidin-3-yl]bicyclo[1.1.1]pentane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 389.16272 Da
Monoisotopic Mass: 3.4
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]+	390.169996	205.5
[M+Na]+	412.151938	206.0
[M-H]-	388.155444	210.8
[M+NH4]+	407.196543	201.3
[M+K]+	428.125878	210.6
[M+H-H2O]+	372.159980	188.5
[M+HCOO]-	434.160921	209.8
[M+CH3COO]-	448.176571	247.3
[M+Na-2H]-	410.137386	203.2
[M]+	389.16217142	230.5
[M]-	389.16326858	230.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.