CID 3056157

73484-41-0

Structural Information

Molecular Formula
C19H21N3O6
SMILES
COC1=CC=CC=C1NCN2C(=O)OC(=N2)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C19H21N3O6/c1-24-14-8-6-5-7-13(14)20-11-22-19(23)28-18(21-22)12-9-15(25-2)17(27-4)16(10-12)26-3/h5-10,20H,11H2,1-4H3
InChIKey
SGQFDQMXGNHJJY-UHFFFAOYSA-N
Compound name
3-[(2-methoxyanilino)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

387.14304 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.15032 188.7
[M+Na]+ 410.13226 198.0
[M-H]- 386.13576 198.0
[M+NH4]+ 405.17686 197.8
[M+K]+ 426.10620 196.5
[M+H-H2O]+ 370.14030 178.2
[M+HCOO]- 432.14124 212.0
[M+CH3COO]- 446.15689 222.5
[M+Na-2H]- 408.11771 190.9
[M]+ 387.14249 198.6
[M]- 387.14359 198.6
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.