CID 7010040

352351-61-2

Structural Information

Molecular Formula
C24H19Cl2NO4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@H](CC4=C(C=C(C=C4)Cl)Cl)C(=O)O
InChI
InChI=1S/C24H19Cl2NO4/c25-15-10-9-14(21(26)12-15)11-22(23(28)29)27-24(30)31-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-10,12,20,22H,11,13H2,(H,27,30)(H,28,29)/t22-/m1/s1
InChIKey
PGIMVGROPOKRNA-JOCHJYFZSA-N
Compound name
(2R)-3-(2,4-dichlorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

455.06912 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.07640 203.7
[M+Na]+ 478.05834 217.6
[M+NH4]+ 473.10294 211.2
[M+K]+ 494.03228 210.8
[M-H]- 454.06184 207.8
[M+Na-2H]- 476.04379 208.9
[M]+ 455.06857 207.4
[M]- 455.06967 207.4
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