CID 130728049

1935218-02-2

Structural Information

Molecular Formula

C₂₁H₂₃NO₅

SMILES

COCCN(CCC(=O)O)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

InChI

InChI=1S/C21H23NO5/c1-26-13-12-22(11-10-20(23)24)21(25)27-14-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-9,19H,10-14H2,1H3,(H,23,24)

InChIKey

HRHBYNFTALYODX-UHFFFAOYSA-N

Compound name

3-[9H-fluoren-9-ylmethoxycarbonyl(2-methoxyethyl)amino]propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 369.15762 Da
Monoisotopic Mass: 2.6
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]+	370.164896	188.0
[M+Na]+	392.146838	192.6
[M-H]-	368.150344	192.6
[M+NH4]+	387.191443	203.2
[M+K]+	408.120778	190.2
[M+H-H2O]+	352.154880	180.4
[M+HCOO]-	414.155821	208.0
[M+CH3COO]-	428.171471	219.5
[M+Na-2H]-	390.132286	189.3
[M]+	369.15707142	194.0
[M]-	369.15816858	194.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe