CID 7023377

479064-89-6

Structural Information

Molecular Formula
C24H20FNO4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC(=O)O)C4=CC=C(C=C4)F
InChI
InChI=1S/C24H20FNO4/c25-16-11-9-15(10-12-16)22(13-23(27)28)26-24(29)30-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22H,13-14H2,(H,26,29)(H,27,28)/t22-/m0/s1
InChIKey
PQXRHKBSMBRBBW-QFIPXVFZSA-N
Compound name
(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-fluorophenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.13763 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.14491 196.2
[M+Na]+ 428.12685 207.1
[M+NH4]+ 423.17145 202.5
[M+K]+ 444.10079 202.1
[M-H]- 404.13035 198.6
[M+Na-2H]- 426.11230 200.7
[M]+ 405.13708 198.2
[M]- 405.13818 198.2
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.