CID 2734474

96402-49-2

Structural Information

Molecular Formula
C28H23NO4
SMILES
C1=CC=C2C(=C1)C=CC=C2C[C@@H](C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C28H23NO4/c30-27(31)26(16-19-10-7-9-18-8-1-2-11-20(18)19)29-28(32)33-17-25-23-14-5-3-12-21(23)22-13-4-6-15-24(22)25/h1-15,25-26H,16-17H2,(H,29,32)(H,30,31)/t26-/m0/s1
InChIKey
ORWNVJDLEMVDLV-SANMLTNESA-N
Compound name
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-naphthalen-1-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

241
Patents

437.16272 Da
Monoisotopic Mass

5.9
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

literature stripe

Patent stripe

patents stripe