CID 90456758

1629658-17-8

Structural Information

Molecular Formula
C24H19ClFNO4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CC(=C(C=C4)F)Cl)C(=O)O
InChI
InChI=1S/C24H19ClFNO4/c25-20-11-14(9-10-21(20)26)12-22(23(28)29)27-24(30)31-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-11,19,22H,12-13H2,(H,27,30)(H,28,29)/t22-/m0/s1
InChIKey
GKDZBYZULQFYHD-QFIPXVFZSA-N
Compound name
(2S)-3-(3-chloro-4-fluorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

439.09866 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.10594 200.9
[M+Na]+ 462.08788 213.1
[M+NH4]+ 457.13248 207.4
[M+K]+ 478.06182 207.3
[M-H]- 438.09138 203.5
[M+Na-2H]- 460.07333 205.3
[M]+ 439.09811 203.4
[M]- 439.09921 203.4
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