CID 145711925

N-fmoc-4-ethynyl-l-phenylalanine

Structural Information

Molecular Formula
C26H21NO4
SMILES
C#CC1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C26H21NO4/c1-2-17-11-13-18(14-12-17)15-24(25(28)29)27-26(30)31-16-23-21-9-5-3-7-19(21)20-8-4-6-10-22(20)23/h1,3-14,23-24H,15-16H2,(H,27,30)(H,28,29)/t24-/m0/s1
InChIKey
CRTLXWNIKFTLOR-DEOSSOPVSA-N
Compound name
(2S)-3-(4-ethynylphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.14706 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.15434 202.6
[M+Na]+ 434.13628 214.0
[M+NH4]+ 429.18088 205.7
[M+K]+ 450.11022 205.0
[M-H]- 410.13978 197.9
[M+Na-2H]- 432.12173 203.8
[M]+ 411.14651 201.9
[M]- 411.14761 201.9
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.