CID 137698911

2137695-93-1

Structural Information

Molecular Formula

C₂₅H₂₂FNO₄

SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N(CCC(=O)O)CC4=CC=C(C=C4)F

InChI

InChI=1S/C25H22FNO4/c26-18-11-9-17(10-12-18)15-27(14-13-24(28)29)25(30)31-16-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-12,23H,13-16H2,(H,28,29)

InChIKey

RCUZWRPHGFCVAI-UHFFFAOYSA-N

Compound name

3-[9H-fluoren-9-ylmethoxycarbonyl-[(4-fluorophenyl)methyl]amino]propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 419.1533 Da
Monoisotopic Mass: 4.3
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]+	420.160576	200.5
[M+Na]+	442.142518	205.5
[M-H]-	418.146024	207.1
[M+NH4]+	437.187123	213.3
[M+K]+	458.116458	200.9
[M+H-H2O]+	402.150560	190.7
[M+HCOO]-	464.151501	219.1
[M+CH3COO]-	478.167151	229.1
[M+Na-2H]-	440.127966	200.4
[M]+	419.15275142	203.1
[M]-	419.15384858	203.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.