CID 3056172

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

Structural Information

Molecular Formula
C20H23N3O6
SMILES
CCOC1=C(C=C(C=C1OC)C2=NN(C(=O)O2)CNC3=CC=CC=C3OC)OC
InChI
InChI=1S/C20H23N3O6/c1-5-28-18-16(26-3)10-13(11-17(18)27-4)19-22-23(20(24)29-19)12-21-14-8-6-7-9-15(14)25-2/h6-11,21H,5,12H2,1-4H3
InChIKey
HZZDFVMZVAFXOR-UHFFFAOYSA-N
Compound name
5-(4-ethoxy-3,5-dimethoxyphenyl)-3-[(2-methoxyanilino)methyl]-1,3,4-oxadiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.1587 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.16598 193.2
[M+Na]+ 424.14792 202.0
[M-H]- 400.15142 202.3
[M+NH4]+ 419.19252 201.7
[M+K]+ 440.12186 200.3
[M+H-H2O]+ 384.15596 182.5
[M+HCOO]- 446.15690 216.1
[M+CH3COO]- 460.17255 225.4
[M+Na-2H]- 422.13337 194.9
[M]+ 401.15815 203.4
[M]- 401.15925 203.4
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.