CID 53138486

5-(3,4-diethoxyphenyl)-3-[3-(1-methyl-1h-pyrazol-5-yl)phenyl]-1,2,4-oxadiazole

Structural Information

Molecular Formula
C22H22N4O3
SMILES
CCOC1=C(C=C(C=C1)C2=NC(=NO2)C3=CC=CC(=C3)C4=CC=NN4C)OCC
InChI
InChI=1S/C22H22N4O3/c1-4-27-19-10-9-17(14-20(19)28-5-2)22-24-21(25-29-22)16-8-6-7-15(13-16)18-11-12-23-26(18)3/h6-14H,4-5H2,1-3H3
InChIKey
GOHPTYLIINLDIP-UHFFFAOYSA-N
Compound name
5-(3,4-diethoxyphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.1692 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.17648 192.2
[M+Na]+ 413.15842 202.7
[M-H]- 389.16192 202.2
[M+NH4]+ 408.20302 200.3
[M+K]+ 429.13236 198.1
[M+H-H2O]+ 373.16646 180.7
[M+HCOO]- 435.16740 213.4
[M+CH3COO]- 449.18305 203.1
[M+Na-2H]- 411.14387 192.1
[M]+ 390.16865 200.2
[M]- 390.16975 200.2
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.