CID 3056158

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

Structural Information

Molecular Formula
C19H18F3N3O5
SMILES
COC1=CC(=CC(=C1OC)OC)C2=NN(C(=O)O2)CNC3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C19H18F3N3O5/c1-27-14-7-11(8-15(28-2)16(14)29-3)17-24-25(18(26)30-17)10-23-13-6-4-5-12(9-13)19(20,21)22/h4-9,23H,10H2,1-3H3
InChIKey
KOGHZFOSLOJCDG-UHFFFAOYSA-N
Compound name
3-[[3-(trifluoromethyl)anilino]methyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.11984 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.12712 200.2
[M+Na]+ 448.10906 209.9
[M+NH4]+ 443.15366 202.2
[M+K]+ 464.08300 207.2
[M-H]- 424.11256 199.8
[M+Na-2H]- 446.09451 203.7
[M]+ 425.11929 201.1
[M]- 425.12039 201.1
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.