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]+ 404.14925 193.6
[M+Na]+ 426.13119 196.6
[M-H]- 402.13469 198.8
[M+NH4]+ 421.17579 205.3
[M+K]+ 442.10513 192.7
[M+H-H2O]+ 386.13923 185.7
[M+HCOO]- 448.14017 209.8
[M+CH3COO]- 462.15582 221.2
[M+Na-2H]- 424.11664 194.0
[M]+ 403.14142 193.8
[M]- 403.14252 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.