CID 57855696

Difamilast

Structural Information

Molecular Formula
C23H24F2N2O5
SMILES
CCOC1=CC=CC=C1C(=O)NCC2=COC(=N2)C3=CC(=C(C=C3)OC(F)F)OC(C)C
InChI
InChI=1S/C23H24F2N2O5/c1-4-29-18-8-6-5-7-17(18)21(28)26-12-16-13-30-22(27-16)15-9-10-19(32-23(24)25)20(11-15)31-14(2)3/h5-11,13-14,23H,4,12H2,1-3H3,(H,26,28)
InChIKey
VFBILHPIHUPBPZ-UHFFFAOYSA-N
Compound name
N-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-2-ethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

8457
Patents

446.1653 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.17258 208.2
[M+Na]+ 469.15452 217.6
[M+NH4]+ 464.19912 211.3
[M+K]+ 485.12846 214.4
[M-H]- 445.15802 210.1
[M+Na-2H]- 467.13997 212.0
[M]+ 446.16475 209.7
[M]- 446.16585 209.7
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