CID 3056173

1,3,5-oxadiazol-2(3h)-one, 5-(4-ethoxy-3,5-dimethoxyphenyl)-3-(((3-(trifluoromethyl)phenyl)amino)methyl)-

Structural Information

Molecular Formula
C20H20F3N3O5
SMILES
CCOC1=C(C=C(C=C1OC)C2=NN(C(=O)O2)CNC3=CC=CC(=C3)C(F)(F)F)OC
InChI
InChI=1S/C20H20F3N3O5/c1-4-30-17-15(28-2)8-12(9-16(17)29-3)18-25-26(19(27)31-18)11-24-14-7-5-6-13(10-14)20(21,22)23/h5-10,24H,4,11H2,1-3H3
InChIKey
BBBJMLZKDSMIJJ-UHFFFAOYSA-N
Compound name
5-(4-ethoxy-3,5-dimethoxyphenyl)-3-[[3-(trifluoromethyl)anilino]methyl]-1,3,4-oxadiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.1355 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.14278 200.8
[M+Na]+ 462.12472 210.5
[M-H]- 438.12822 206.1
[M+NH4]+ 457.16932 207.9
[M+K]+ 478.09866 207.2
[M+H-H2O]+ 422.13276 188.1
[M+HCOO]- 484.13370 218.7
[M+CH3COO]- 498.14935 230.9
[M+Na-2H]- 460.11017 201.7
[M]+ 439.13495 205.9
[M]- 439.13605 205.9
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

No patent data available for this compound.