CID 15954653

1-[6-[3-[3,5-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]pyridazin-3-yl]ethanone

Structural Information

Molecular Formula
C20H22N4O3
SMILES
CC1=CC(=CC(=C1C2=NOC(=N2)C)C)OCCCC3=NN=C(C=C3)C(=O)C
InChI
InChI=1S/C20H22N4O3/c1-12-10-17(11-13(2)19(12)20-21-15(4)27-24-20)26-9-5-6-16-7-8-18(14(3)25)23-22-16/h7-8,10-11H,5-6,9H2,1-4H3
InChIKey
GMEYVYWWZYDRKG-UHFFFAOYSA-N
Compound name
1-[6-[3-[3,5-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]pyridazin-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.1692 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.17648 190.0
[M+Na]+ 389.15842 199.5
[M-H]- 365.16192 196.0
[M+NH4]+ 384.20302 197.5
[M+K]+ 405.13236 195.3
[M+H-H2O]+ 349.16646 178.6
[M+HCOO]- 411.16740 207.6
[M+CH3COO]- 425.18305 218.7
[M+Na-2H]- 387.14387 189.8
[M]+ 366.16865 196.5
[M]- 366.16975 196.5
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.