CID 2774201

205526-24-5

Structural Information

Molecular Formula
C24H19F2NO4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CC(=CC(=C4)F)F)C(=O)O
InChI
InChI=1S/C24H19F2NO4/c25-15-9-14(10-16(26)12-15)11-22(23(28)29)27-24(30)31-13-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-10,12,21-22H,11,13H2,(H,27,30)(H,28,29)/t22-/m0/s1
InChIKey
UYEQBZISDRNPFC-QFIPXVFZSA-N
Compound name
(2S)-3-(3,5-difluorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

168
Patents

423.1282 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.13548 198.9
[M+Na]+ 446.11742 208.9
[M+NH4]+ 441.16202 204.1
[M+K]+ 462.09136 204.1
[M-H]- 422.12092 199.6
[M+Na-2H]- 444.10287 202.2
[M]+ 423.12765 200.1
[M]- 423.12875 200.1
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

patents stripe