CID 40787319

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

Structural Information

Molecular Formula
C24H21NO5
SMILES
C1=CC=C(C=C1)[C@H]([C@H](C(=O)O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C24H21NO5/c26-22(23(27)28)21(15-8-2-1-3-9-15)25-24(29)30-14-20-18-12-6-4-10-16(18)17-11-5-7-13-19(17)20/h1-13,20-22,26H,14H2,(H,25,29)(H,27,28)/t21-,22-/m1/s1
InChIKey
QOYRELXVQPLAAB-FGZHOGPDSA-N
Compound name
(2R,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxy-3-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.14197 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.149246 193.6
[M+Na]+ 426.131188 196.6
[M-H]- 402.134694 198.8
[M+NH4]+ 421.175793 205.3
[M+K]+ 442.105128 192.7
[M+H-H2O]+ 386.139230 185.7
[M+HCOO]- 448.140171 209.8
[M+CH3COO]- 462.155821 221.2
[M+Na-2H]- 424.116636 194.0
[M]+ 403.14142142 193.8
[M]- 403.14251858 193.8
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.