CID 73063180

1699289-36-5

Structural Information

Molecular Formula
C25H23NO6
SMILES
COC1=C(C=CC(=C1)CC(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)O
InChI
InChI=1S/C25H23NO6/c1-31-23-13-15(10-11-22(23)27)12-21(24(28)29)26-25(30)32-14-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-11,13,20-21,27H,12,14H2,1H3,(H,26,30)(H,28,29)
InChIKey
RNGOFAFWPOOZJT-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-hydroxy-3-methoxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

433.15253 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.15981 201.2
[M+Na]+ 456.14175 205.5
[M-H]- 432.14525 206.9
[M+NH4]+ 451.18635 212.1
[M+K]+ 472.11569 201.9
[M+H-H2O]+ 416.14979 193.0
[M+HCOO]- 478.15073 218.1
[M+CH3COO]- 492.16638 228.0
[M+Na-2H]- 454.12720 201.1
[M]+ 433.15198 204.6
[M]- 433.15308 204.6
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

patents stripe