CID 132349237

2138434-84-9

Structural Information

Molecular Formula
C26H24FNO4
SMILES
CC1=C(C=CC(=C1)F)CC(CNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C26H24FNO4/c1-16-12-19(27)11-10-17(16)13-18(25(29)30)14-28-26(31)32-15-24-22-8-4-2-6-20(22)21-7-3-5-9-23(21)24/h2-12,18,24H,13-15H2,1H3,(H,28,31)(H,29,30)
InChIKey
FSSPAMFBTFFFTH-UHFFFAOYSA-N
Compound name
2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-3-(4-fluoro-2-methylphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.16895 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.17623 204.8
[M+Na]+ 456.15817 209.8
[M-H]- 432.16167 210.2
[M+NH4]+ 451.20277 216.7
[M+K]+ 472.13211 204.4
[M+H-H2O]+ 416.16621 195.5
[M+HCOO]- 478.16715 221.5
[M+CH3COO]- 492.18280 231.1
[M+Na-2H]- 454.14362 203.2
[M]+ 433.16840 206.4
[M]- 433.16950 206.4
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.