CID 20028

4092-83-5

Structural Information

Molecular Formula

C₂₀H₂₂F₂N₂O₃

SMILES

C1=CC=C(C=C1)C(=O)NC(CC2=CC=C(C=C2)N(CCF)CCF)C(=O)O

InChI

InChI=1S/C20H22F2N2O3/c21-10-12-24(13-11-22)17-8-6-15(7-9-17)14-18(20(26)27)23-19(25)16-4-2-1-3-5-16/h1-9,18H,10-14H2,(H,23,25)(H,26,27)

InChIKey

FFOGPIIAKXVFCM-UHFFFAOYSA-N

Compound name

2-benzamido-3-[4-[bis(2-fluoroethyl)amino]phenyl]propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 376.15985 Da
Monoisotopic Mass: 3.6
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]+	377.167126	189.1
[M+Na]+	399.149068	191.5
[M-H]-	375.152574	191.9
[M+NH4]+	394.193673	199.3
[M+K]+	415.123008	188.1
[M+H-H2O]+	359.157110	177.9
[M+HCOO]-	421.158051	208.3
[M+CH3COO]-	435.173701	223.8
[M+Na-2H]-	397.134516	188.0
[M]+	376.15930142	187.3
[M]-	376.16039858	187.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.