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

5
Patents

423.1282 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.13548 198.6
[M+Na]+ 446.11742 204.6
[M-H]- 422.12092 203.0
[M+NH4]+ 441.16202 210.8
[M+K]+ 462.09136 199.0
[M+H-H2O]+ 406.12546 188.6
[M+HCOO]- 468.12640 215.0
[M+CH3COO]- 482.14205 227.9
[M+Na-2H]- 444.10287 197.5
[M]+ 423.12765 198.6
[M]- 423.12875 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