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]+ 402.165976 193.2
[M+Na]+ 424.147918 202.0
[M-H]- 400.151424 202.3
[M+NH4]+ 419.192523 201.7
[M+K]+ 440.121858 200.3
[M+H-H2O]+ 384.155960 182.5
[M+HCOO]- 446.156901 216.1
[M+CH3COO]- 460.172551 225.4
[M+Na-2H]- 422.133366 194.9
[M]+ 401.15815142 203.4
[M]- 401.15924858 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.