CID 10551749

188814-26-8

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

455.06912 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.07640 204.5
[M+Na]+ 478.05834 211.9
[M-H]- 454.06184 211.0
[M+NH4]+ 473.10294 217.2
[M+K]+ 494.03228 204.9
[M+H-H2O]+ 438.06638 198.1
[M+HCOO]- 500.06732 213.8
[M+CH3COO]- 514.08297 229.8
[M+Na-2H]- 476.04379 203.7
[M]+ 455.06857 210.9
[M]- 455.06967 210.9
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