CID 123301297

2137462-58-7

Structural Information

Molecular Formula
C25H23NO5
SMILES
C1=CC=C(C=C1)CC(C(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)O
InChI
InChI=1S/C25H23NO5/c27-22(14-16-8-2-1-3-9-16)23(24(28)29)26-25(30)31-15-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h1-13,21-23,27H,14-15H2,(H,26,30)(H,28,29)
InChIKey
AVWRDMWEWHYRJC-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxy-4-phenylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

417.15762 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.16490 198.1
[M+Na]+ 440.14684 200.7
[M-H]- 416.15034 203.1
[M+NH4]+ 435.19144 209.2
[M+K]+ 456.12078 196.6
[M+H-H2O]+ 400.15488 190.0
[M+HCOO]- 462.15582 214.0
[M+CH3COO]- 476.17147 224.1
[M+Na-2H]- 438.13229 198.0
[M]+ 417.15707 198.7
[M]- 417.15817 198.7
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

patents stripe