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

103
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 188.1
[M+Na]+ 400.11552 193.0
[M-H]- 376.11902 196.1
[M+NH4]+ 395.16012 202.4
[M+K]+ 416.08946 190.5
[M+H-H2O]+ 360.12356 181.5
[M+HCOO]- 422.12450 207.6
[M+CH3COO]- 436.14015 216.6
[M+Na-2H]- 398.10097 188.8
[M]+ 377.12575 191.6
[M]- 377.12685 191.6
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