CID 20249

3-(p-(bis(2-fluoroethyl)amino)phenyl)alanine

Structural Information

Molecular Formula
C13H18F2N2O2
SMILES
C1=CC(=CC=C1CC(C(=O)O)N)N(CCF)CCF
InChI
InChI=1S/C13H18F2N2O2/c14-5-7-17(8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19/h1-4,12H,5-9,16H2,(H,18,19)
InChIKey
IQLKPDQPLGAXJF-UHFFFAOYSA-N
Compound name
2-amino-3-[4-[bis(2-fluoroethyl)amino]phenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.13364 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.14092 161.7
[M+Na]+ 295.12286 168.2
[M+NH4]+ 290.16746 166.3
[M+K]+ 311.09680 164.0
[M-H]- 271.12636 160.0
[M+Na-2H]- 293.10831 164.2
[M]+ 272.13309 161.5
[M]- 272.13419 161.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.