CID 11534399

Chembl257667

Structural Information

Molecular Formula
C28H26ClF4NO6
SMILES
CC1=C(C=CC(=C1)OCCOCCOC)NC(=O)COC2=C(C=C(C=C2)Cl)C(=O)C3=CC(=CC(=C3)F)C(F)(F)F
InChI
InChI=1S/C28H26ClF4NO6/c1-17-11-22(39-10-9-38-8-7-37-2)4-5-24(17)34-26(35)16-40-25-6-3-20(29)15-23(25)27(36)18-12-19(28(31,32)33)14-21(30)13-18/h3-6,11-15H,7-10,16H2,1-2H3,(H,34,35)
InChIKey
BAWWCXDEGWTQQJ-UHFFFAOYSA-N
Compound name
2-[4-chloro-2-[3-fluoro-5-(trifluoromethyl)benzoyl]phenoxy]-N-[4-[2-(2-methoxyethoxy)ethoxy]-2-methylphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

583.1385 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 584.14578 234.7
[M+Na]+ 606.12772 241.3
[M-H]- 582.13122 238.9
[M+NH4]+ 601.17232 238.4
[M+K]+ 622.10166 235.8
[M+H-H2O]+ 566.13576 220.8
[M+HCOO]- 628.13670 245.5
[M+CH3COO]- 642.15235 256.9
[M+Na-2H]- 604.11317 230.6
[M]+ 583.13795 241.1
[M]- 583.13905 241.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe