CID 2762353

959581-14-7

Structural Information

Molecular Formula
C25H23NO5
SMILES
CC1=CC(=CC=C1)[C@@H]([C@@H](C(=O)O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C25H23NO5/c1-15-7-6-8-16(13-15)22(23(27)24(28)29)26-25(30)31-14-21-19-11-4-2-9-17(19)18-10-3-5-12-20(18)21/h2-13,21-23,27H,14H2,1H3,(H,26,30)(H,28,29)/t22-,23-/m0/s1
InChIKey
YAHIXHKNZKCSQJ-GOTSBHOMSA-N
Compound name
(2S,3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxy-3-(3-methylphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.15762 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.16490 199.4
[M+Na]+ 440.14684 209.7
[M+NH4]+ 435.19144 205.2
[M+K]+ 456.12078 206.1
[M-H]- 416.15034 202.2
[M+Na-2H]- 438.13229 203.2
[M]+ 417.15707 201.3
[M]- 417.15817 201.3
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.