CID 2777963

205526-30-3

Structural Information

Molecular Formula
C24H18F3NO4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CC(=C(C(=C4)F)F)F)C(=O)O
InChI
InChI=1S/C24H18F3NO4/c25-19-9-13(10-20(26)22(19)27)11-21(23(29)30)28-24(31)32-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-10,18,21H,11-12H2,(H,28,31)(H,29,30)/t21-/m0/s1
InChIKey
VNMUACAZWGQRRL-NRFANRHFSA-N
Compound name
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(3,4,5-trifluorophenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

441.1188 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.12608 201.1
[M+Na]+ 464.10802 209.9
[M+NH4]+ 459.15262 205.2
[M+K]+ 480.08196 205.5
[M-H]- 440.11152 200.1
[M+Na-2H]- 462.09347 203.1
[M]+ 441.11825 201.6
[M]- 441.11935 201.6
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