CID 56972870

Fmoc-5-fluoro-d-tryptophan

Structural Information

Molecular Formula
C26H21FN2O4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@H](CC4=CNC5=C4C=C(C=C5)F)C(=O)O
InChI
InChI=1S/C26H21FN2O4/c27-16-9-10-23-21(12-16)15(13-28-23)11-24(25(30)31)29-26(32)33-14-22-19-7-3-1-5-17(19)18-6-2-4-8-20(18)22/h1-10,12-13,22,24,28H,11,14H2,(H,29,32)(H,30,31)/t24-/m1/s1
InChIKey
GIFXTRKMFUWKHR-XMMPIXPASA-N
Compound name
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(5-fluoro-1H-indol-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

444.14853 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.15581 202.8
[M+Na]+ 467.13775 209.0
[M-H]- 443.14125 207.9
[M+NH4]+ 462.18235 214.9
[M+K]+ 483.11169 202.7
[M+H-H2O]+ 427.14579 194.3
[M+HCOO]- 489.14673 218.7
[M+CH3COO]- 503.16238 210.7
[M+Na-2H]- 465.12320 202.3
[M]+ 444.14798 204.5
[M]- 444.14908 204.5
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.