CID 9802880

Chembl201372

Structural Information

Molecular Formula
C21H15ClF2N2O4
SMILES
COC1=NC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)Cl)C(=O)C3=CC(=CC(=C3)F)F
InChI
InChI=1S/C21H15ClF2N2O4/c1-29-20-5-3-16(10-25-20)26-19(27)11-30-18-4-2-13(22)8-17(18)21(28)12-6-14(23)9-15(24)7-12/h2-10H,11H2,1H3,(H,26,27)
InChIKey
LUVBXQXGHNHXKY-UHFFFAOYSA-N
Compound name
2-[4-chloro-2-(3,5-difluorobenzoyl)phenoxy]-N-(6-methoxypyridin-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

432.06885 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.07613 196.4
[M+Na]+ 455.05807 205.2
[M-H]- 431.06157 202.6
[M+NH4]+ 450.10267 204.9
[M+K]+ 471.03201 199.1
[M+H-H2O]+ 415.06611 184.5
[M+HCOO]- 477.06705 211.7
[M+CH3COO]- 491.08270 229.1
[M+Na-2H]- 453.04352 196.3
[M]+ 432.06830 200.4
[M]- 432.06940 200.4
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