CID 3056174

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

Structural Information

Molecular Formula
C19H20ClN3O5
SMILES
CCOC1=C(C=C(C=C1OC)C2=NN(C(=O)O2)CNC3=CC=C(C=C3)Cl)OC
InChI
InChI=1S/C19H20ClN3O5/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
MHIGCLGAKZMUFD-UHFFFAOYSA-N
Compound name
3-[(4-chloroanilino)methyl]-5-(4-ethoxy-3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.10916 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.11644 194.1
[M+Na]+ 428.09838 209.1
[M+NH4]+ 423.14298 199.5
[M+K]+ 444.07232 204.2
[M-H]- 404.10188 199.5
[M+Na-2H]- 426.08383 201.0
[M]+ 405.10861 198.0
[M]- 405.10971 198.0
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.