CID 2734451

Fmoc-l-2-furylalanine

Structural Information

Molecular Formula
C22H19NO5
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CC=CO4)C(=O)O
InChI
InChI=1S/C22H19NO5/c24-21(25)20(12-14-6-5-11-27-14)23-22(26)28-13-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-11,19-20H,12-13H2,(H,23,26)(H,24,25)/t20-/m0/s1
InChIKey
AJXDCHXGNUFBRC-FQEVSTJZSA-N
Compound name
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(furan-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
Patents

377.1263 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.13358 188.3
[M+Na]+ 400.11552 198.2
[M+NH4]+ 395.16012 194.7
[M+K]+ 416.08946 196.7
[M-H]- 376.11902 192.2
[M+Na-2H]- 398.10097 191.6
[M]+ 377.12575 190.5
[M]- 377.12685 190.5
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

patents stripe