CID 15954656

5-(difluoromethyl)-3-[4-[(e)-3-(6-methoxypyridazin-3-yl)prop-1-enoxy]-2,6-dimethyl-phenyl]-1,2,4-oxadiazole

Structural Information

Molecular Formula
C19H18F2N4O3
SMILES
CC1=CC(=CC(=C1C2=NOC(=N2)C(F)F)C)O/C=C/CC3=NN=C(C=C3)OC
InChI
InChI=1S/C19H18F2N4O3/c1-11-9-14(27-8-4-5-13-6-7-15(26-3)24-23-13)10-12(2)16(11)18-22-19(17(20)21)28-25-18/h4,6-10,17H,5H2,1-3H3/b8-4+
InChIKey
YHXHKSBZZHNPCE-XBXARRHUSA-N
Compound name
5-(difluoromethyl)-3-[4-[(E)-3-(6-methoxypyridazin-3-yl)prop-1-enoxy]-2,6-dimethylphenyl]-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.1347 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.14198 191.5
[M+Na]+ 411.12392 201.6
[M-H]- 387.12742 194.9
[M+NH4]+ 406.16852 198.0
[M+K]+ 427.09786 196.6
[M+H-H2O]+ 371.13196 178.2
[M+HCOO]- 433.13290 207.3
[M+CH3COO]- 447.14855 220.3
[M+Na-2H]- 409.10937 190.6
[M]+ 388.13415 195.6
[M]- 388.13525 195.6
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.