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 193.5
[M+Na]+ 428.09838 203.8
[M-H]- 404.10188 202.5
[M+NH4]+ 423.14298 202.9
[M+K]+ 444.07232 200.0
[M+H-H2O]+ 388.10642 183.5
[M+HCOO]- 450.10736 211.9
[M+CH3COO]- 464.12301 223.7
[M+Na-2H]- 426.08383 194.9
[M]+ 405.10861 204.2
[M]- 405.10971 204.2
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.