CID 2774198

N-alpha-(9-fluorenylmethyloxycarbonyl)-3,4-difluoro-d-phenylalanine

Structural Information

Molecular Formula
C24H19F2NO4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@H](CC4=CC(=C(C=C4)F)F)C(=O)O
InChI
InChI=1S/C24H19F2NO4/c25-20-10-9-14(11-21(20)26)12-22(23(28)29)27-24(30)31-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-11,19,22H,12-13H2,(H,27,30)(H,28,29)/t22-/m1/s1
InChIKey
IHSYIDJNVXPQRM-JOCHJYFZSA-N
Compound name
(2R)-3-(3,4-difluorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

423.1282 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.135476 198.6
[M+Na]+ 446.117418 204.6
[M-H]- 422.120924 203.0
[M+NH4]+ 441.162023 210.8
[M+K]+ 462.091358 199.0
[M+H-H2O]+ 406.125460 188.6
[M+HCOO]- 468.126401 215.0
[M+CH3COO]- 482.142051 227.9
[M+Na-2H]- 444.102866 197.5
[M]+ 423.12765142 198.6
[M]- 423.12874858 198.6
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