CID 124203354

(s)-fmoc-2,6-difluoro-tyrosine

Structural Information

Molecular Formula
C24H19F2NO5
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=C(C=C(C=C4F)O)F)C(=O)O
InChI
InChI=1S/C24H19F2NO5/c25-20-9-13(28)10-21(26)18(20)11-22(23(29)30)27-24(31)32-12-19-16-7-3-1-5-14(16)15-6-2-4-8-17(15)19/h1-10,19,22,28H,11-12H2,(H,27,31)(H,29,30)/t22-/m0/s1
InChIKey
NUUZAOZFLRYEAB-QFIPXVFZSA-N
Compound name
(2S)-3-(2,6-difluoro-4-hydroxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.12314 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.13042 200.8
[M+Na]+ 462.11236 206.9
[M-H]- 438.11586 204.3
[M+NH4]+ 457.15696 211.8
[M+K]+ 478.08630 201.7
[M+H-H2O]+ 422.12040 191.3
[M+HCOO]- 484.12134 215.8
[M+CH3COO]- 498.13699 229.4
[M+Na-2H]- 460.09781 199.0
[M]+ 439.12259 200.9
[M]- 439.12369 200.9
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.