CID 3056171

73484-55-6

Structural Information

Molecular Formula
C19H21N3O5
SMILES
CCOC1=C(C=C(C=C1OC)C2=NN(C(=O)O2)CNC3=CC=CC=C3)OC
InChI
InChI=1S/C19H21N3O5/c1-4-26-17-15(24-2)10-13(11-16(17)25-3)18-21-22(19(23)27-18)12-20-14-8-6-5-7-9-14/h5-11,20H,4,12H2,1-3H3
InChIKey
BOPMLKOGQWOAQV-UHFFFAOYSA-N
Compound name
3-(anilinomethyl)-5-(4-ethoxy-3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.14813 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.15541 185.9
[M+Na]+ 394.13735 194.7
[M-H]- 370.14085 194.8
[M+NH4]+ 389.18195 195.6
[M+K]+ 410.11129 192.3
[M+H-H2O]+ 354.14539 175.4
[M+HCOO]- 416.14633 209.1
[M+CH3COO]- 430.16198 218.9
[M+Na-2H]- 392.12280 188.7
[M]+ 371.14758 194.0
[M]- 371.14868 194.0
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.