CID 86810496

1310680-37-5

Structural Information

Molecular Formula
C28H23NO4
SMILES
C1=CC=C2C(=C1)C=CC=C2C(CNC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O
InChI
InChI=1S/C28H23NO4/c30-27(31)25(20-15-7-9-18-8-1-2-10-19(18)20)16-29-28(32)33-17-26-23-13-5-3-11-21(23)22-12-4-6-14-24(22)26/h1-15,25-26H,16-17H2,(H,29,32)(H,30,31)
InChIKey
WSILPRNTHLWMJU-UHFFFAOYSA-N
Compound name
3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-naphthalen-1-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.16272 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.17000 206.1
[M+Na]+ 460.15194 219.2
[M+NH4]+ 455.19654 213.7
[M+K]+ 476.12588 212.5
[M-H]- 436.15544 211.2
[M+Na-2H]- 458.13739 211.7
[M]+ 437.16217 209.3
[M]- 437.16327 209.3
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.