CID 3056159

73484-43-2

Structural Information

Molecular Formula
C18H18ClN3O5
SMILES
COC1=CC(=CC(=C1OC)OC)C2=NN(C(=O)O2)CNC3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H18ClN3O5/c1-24-14-8-11(9-15(25-2)16(14)26-3)17-21-22(18(23)27-17)10-20-13-6-4-12(19)5-7-13/h4-9,20H,10H2,1-3H3
InChIKey
VJRKTKAQBXOCTB-UHFFFAOYSA-N
Compound name
3-[(4-chloroanilino)methyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.0935 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.10078 189.5
[M+Na]+ 414.08272 204.8
[M+NH4]+ 409.12732 195.1
[M+K]+ 430.05666 200.1
[M-H]- 390.08622 195.0
[M+Na-2H]- 412.06817 196.8
[M]+ 391.09295 193.5
[M]- 391.09405 193.5
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.