CID 15954644

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

Structural Information

Molecular Formula
C20H22F2N4O2
SMILES
CCC1=NN=C(C=C1)CCCOC2=CC(=C(C(=C2)C)C3=NOC(=N3)C(F)F)C
InChI
InChI=1S/C20H22F2N4O2/c1-4-14-7-8-15(25-24-14)6-5-9-27-16-10-12(2)17(13(3)11-16)19-23-20(18(21)22)28-26-19/h7-8,10-11,18H,4-6,9H2,1-3H3
InChIKey
HXXHCYKXZNGCFZ-UHFFFAOYSA-N
Compound name
5-(difluoromethyl)-3-[4-[3-(6-ethylpyridazin-3-yl)propoxy]-2,6-dimethylphenyl]-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.17108 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.17836 193.9
[M+Na]+ 411.16030 203.4
[M-H]- 387.16380 197.1
[M+NH4]+ 406.20490 200.6
[M+K]+ 427.13424 198.1
[M+H-H2O]+ 371.16834 180.5
[M+HCOO]- 433.16928 209.1
[M+CH3COO]- 447.18493 222.4
[M+Na-2H]- 409.14575 192.5
[M]+ 388.17053 197.8
[M]- 388.17163 197.8
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.