CID 15954679

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

Structural Information

Molecular Formula
C20H24N4O3
SMILES
CC1=CC(=CC(=C1C2=NOC(=N2)C)C)OCCCC3=NN=C(C=C3)COC
InChI
InChI=1S/C20H24N4O3/c1-13-10-18(11-14(2)19(13)20-21-15(3)27-24-20)26-9-5-6-16-7-8-17(12-25-4)23-22-16/h7-8,10-11H,5-6,9,12H2,1-4H3
InChIKey
UNFZWKNEFYDNOP-UHFFFAOYSA-N
Compound name
3-[4-[3-[6-(methoxymethyl)pyridazin-3-yl]propoxy]-2,6-dimethylphenyl]-5-methyl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.18484 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.19212 191.1
[M+Na]+ 391.17406 200.6
[M-H]- 367.17756 196.9
[M+NH4]+ 386.21866 198.7
[M+K]+ 407.14800 196.5
[M+H-H2O]+ 351.18210 179.4
[M+HCOO]- 413.18304 209.5
[M+CH3COO]- 427.19869 218.4
[M+Na-2H]- 389.15951 192.0
[M]+ 368.18429 198.9
[M]- 368.18539 198.9
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.