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 196.3
[M+Na]+ 448.10906 206.4
[M-H]- 424.11256 201.8
[M+NH4]+ 443.15366 203.9
[M+K]+ 464.08300 203.3
[M+H-H2O]+ 408.11710 183.8
[M+HCOO]- 470.11804 214.5
[M+CH3COO]- 484.13369 228.0
[M+Na-2H]- 446.09451 197.6
[M]+ 425.11929 201.0
[M]- 425.12039 201.0
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.