CID 10741976

Fmoc-d-aph(cbm)-oh

Structural Information

Molecular Formula
C25H23N3O5
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@H](CC4=CC=C(C=C4)NC(=O)N)C(=O)O
InChI
InChI=1S/C25H23N3O5/c26-24(31)27-16-11-9-15(10-12-16)13-22(23(29)30)28-25(32)33-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22H,13-14H2,(H,28,32)(H,29,30)(H3,26,27,31)/t22-/m1/s1
InChIKey
HFPDOFBZCSQAEJ-JOCHJYFZSA-N
Compound name
(2R)-3-[4-(carbamoylamino)phenyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

445.16376 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.17104 205.5
[M+Na]+ 468.15298 213.4
[M+NH4]+ 463.19758 210.1
[M+K]+ 484.12692 210.6
[M-H]- 444.15648 208.7
[M+Na-2H]- 466.13843 208.7
[M]+ 445.16321 206.9
[M]- 445.16431 206.9
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