CID 20028

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

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.16713 188.2
[M+Na]+ 399.14907 195.6
[M+NH4]+ 394.19367 192.1
[M+K]+ 415.12301 190.4
[M-H]- 375.15257 188.3
[M+Na-2H]- 397.13452 192.6
[M]+ 376.15930 188.7
[M]- 376.16040 188.7
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.