CID 86810496

(r,s)-fmoc-3-amino-2-(naphthalen-1-yl)-propionic acid

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 203.8
[M+Na]+ 460.15194 207.8
[M-H]- 436.15544 211.0
[M+NH4]+ 455.19654 215.7
[M+K]+ 476.12588 202.2
[M+H-H2O]+ 420.15998 194.6
[M+HCOO]- 482.16092 220.3
[M+CH3COO]- 496.17657 211.5
[M+Na-2H]- 458.13739 205.4
[M]+ 437.16217 205.1
[M]- 437.16327 205.1
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.