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 189.0
[M+Na]+ 414.08272 199.7
[M-H]- 390.08622 198.2
[M+NH4]+ 409.12732 199.0
[M+K]+ 430.05666 196.2
[M+H-H2O]+ 374.09076 179.2
[M+HCOO]- 436.09170 207.8
[M+CH3COO]- 450.10735 220.8
[M+Na-2H]- 412.06817 190.9
[M]+ 391.09295 199.3
[M]- 391.09405 199.3
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.