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]+ 358.139756 181.4
[M+Na]+ 380.121698 190.7
[M-H]- 356.125204 190.5
[M+NH4]+ 375.166303 191.7
[M+K]+ 396.095638 188.5
[M+H-H2O]+ 340.129740 171.1
[M+HCOO]- 402.130681 205.0
[M+CH3COO]- 416.146331 216.0
[M+Na-2H]- 378.107146 184.7
[M]+ 357.13193142 189.2
[M]- 357.13302858 189.2
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.