CID 40787328

N-fmoc-(2r,3r)-3-amino-3-(2-fluoro-phenyl)-2-hydroxy-propionic acid

Structural Information

Molecular Formula
C24H20FNO5
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@H](C4=CC=CC=C4F)[C@H](C(=O)O)O
InChI
InChI=1S/C24H20FNO5/c25-20-12-6-5-11-18(20)21(22(27)23(28)29)26-24(30)31-13-19-16-9-3-1-7-14(16)15-8-2-4-10-17(15)19/h1-12,19,21-22,27H,13H2,(H,26,30)(H,28,29)/t21-,22-/m1/s1
InChIKey
IVUXZLOJQPRNKZ-FGZHOGPDSA-N
Compound name
(2R,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-fluorophenyl)-2-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.13254 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.13982 196.9
[M+Na]+ 444.12176 200.9
[M-H]- 420.12526 201.1
[M+NH4]+ 439.16636 208.1
[M+K]+ 460.09570 196.6
[M+H-H2O]+ 404.12980 188.2
[M+HCOO]- 466.13074 212.1
[M+CH3COO]- 480.14639 225.1
[M+Na-2H]- 442.10721 196.0
[M]+ 421.13199 196.6
[M]- 421.13309 196.6
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

No patent data available for this compound.