CID 3056156

1,3,4-oxadiazol-2(3h)-one, 3-((phenylamino)methyl)-5-(3,4,5-trimethoxyphenyl)-

Structural Information

Molecular Formula
C18H19N3O5
SMILES
COC1=CC(=CC(=C1OC)OC)C2=NN(C(=O)O2)CNC3=CC=CC=C3
InChI
InChI=1S/C18H19N3O5/c1-23-14-9-12(10-15(24-2)16(14)25-3)17-20-21(18(22)26-17)11-19-13-7-5-4-6-8-13/h4-10,19H,11H2,1-3H3
InChIKey
SJIOKEIAEGAAJH-UHFFFAOYSA-N
Compound name
3-(anilinomethyl)-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

357.13248 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.13976 183.2
[M+Na]+ 380.12170 197.3
[M+NH4]+ 375.16630 188.5
[M+K]+ 396.09564 193.4
[M-H]- 356.12520 188.6
[M+Na-2H]- 378.10715 190.7
[M]+ 357.13193 186.7
[M]- 357.13303 186.7
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.