CID 132351012

2137546-39-3

Structural Information

Molecular Formula
C29H28FNO4
SMILES
C1CN(CCC1C(CC(=O)O)C2=CC=C(C=C2)F)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C29H28FNO4/c30-21-11-9-19(10-12-21)26(17-28(32)33)20-13-15-31(16-14-20)29(34)35-18-27-24-7-3-1-5-22(24)23-6-2-4-8-25(23)27/h1-12,20,26-27H,13-18H2,(H,32,33)
InChIKey
ZKOKEDHXCMCMKB-UHFFFAOYSA-N
Compound name
3-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]-3-(4-fluorophenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

473.20023 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.20751 215.2
[M+Na]+ 496.18945 217.6
[M-H]- 472.19295 221.0
[M+NH4]+ 491.23405 223.2
[M+K]+ 512.16339 211.4
[M+H-H2O]+ 456.19749 203.7
[M+HCOO]- 518.19843 225.2
[M+CH3COO]- 532.21408 220.7
[M+Na-2H]- 494.17490 210.5
[M]+ 473.19968 211.7
[M]- 473.20078 211.7
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

No patent data available for this compound.