CID 3056175

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

Structural Information

Molecular Formula
C19H20FN3O5
SMILES
CCOC1=C(C=C(C=C1OC)C2=NN(C(=O)O2)CNC3=CC=C(C=C3)F)OC
InChI
InChI=1S/C19H20FN3O5/c1-4-27-17-15(25-2)9-12(10-16(17)26-3)18-22-23(19(24)28-18)11-21-14-7-5-13(20)6-8-14/h5-10,21H,4,11H2,1-3H3
InChIKey
RJLHWNBILBKHRM-UHFFFAOYSA-N
Compound name
5-(4-ethoxy-3,5-dimethoxyphenyl)-3-[(4-fluoroanilino)methyl]-1,3,4-oxadiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.1387 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.14598 189.4
[M+Na]+ 412.12792 199.1
[M-H]- 388.13142 197.3
[M+NH4]+ 407.17252 198.6
[M+K]+ 428.10186 196.3
[M+H-H2O]+ 372.13596 178.1
[M+HCOO]- 434.13690 211.5
[M+CH3COO]- 448.15255 222.8
[M+Na-2H]- 410.11337 190.8
[M]+ 389.13815 196.9
[M]- 389.13925 196.9
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.