CID 15341410

3-[4-[3-(6-ethylpyridazin-3-yl)propoxy]-3,5-dimethyl-phenyl]-5-methyl-1,2,4-oxadiazole

Structural Information

Molecular Formula
C20H24N4O2
SMILES
CCC1=NN=C(C=C1)CCCOC2=C(C=C(C=C2C)C3=NOC(=N3)C)C
InChI
InChI=1S/C20H24N4O2/c1-5-17-8-9-18(23-22-17)7-6-10-25-19-13(2)11-16(12-14(19)3)20-21-15(4)26-24-20/h8-9,11-12H,5-7,10H2,1-4H3
InChIKey
BPONGXDCZYPZGW-UHFFFAOYSA-N
Compound name
3-[4-[3-(6-ethylpyridazin-3-yl)propoxy]-3,5-dimethylphenyl]-5-methyl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.1899 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.19718 188.5
[M+Na]+ 375.17912 198.2
[M-H]- 351.18262 194.2
[M+NH4]+ 370.22372 196.8
[M+K]+ 391.15306 193.4
[M+H-H2O]+ 335.18716 176.9
[M+HCOO]- 397.18810 206.7
[M+CH3COO]- 411.20375 216.4
[M+Na-2H]- 373.16457 189.2
[M]+ 352.18935 194.9
[M]- 352.19045 194.9
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.