CID 11560110

2-[[2-(3,5-difluorobenzoyl)-3-thienyl]oxy]-n-(o-tolyl)acetamide

Structural Information

Molecular Formula
C20H15F2NO3S
SMILES
CC1=CC=CC=C1NC(=O)COC2=C(SC=C2)C(=O)C3=CC(=CC(=C3)F)F
InChI
InChI=1S/C20H15F2NO3S/c1-12-4-2-3-5-16(12)23-18(24)11-26-17-6-7-27-20(17)19(25)13-8-14(21)10-15(22)9-13/h2-10H,11H2,1H3,(H,23,24)
InChIKey
PZRZKQDGCMATPO-UHFFFAOYSA-N
Compound name
2-[2-(3,5-difluorobenzoyl)thiophen-3-yl]oxy-N-(2-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

387.07407 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.08135 188.2
[M+Na]+ 410.06329 196.1
[M-H]- 386.06679 196.1
[M+NH4]+ 405.10789 201.6
[M+K]+ 426.03723 190.4
[M+H-H2O]+ 370.07133 178.3
[M+HCOO]- 432.07227 205.5
[M+CH3COO]- 446.08792 219.8
[M+Na-2H]- 408.04874 184.9
[M]+ 387.07352 190.5
[M]- 387.07462 190.5
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