CID 15954672

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

Structural Information

Molecular Formula
C19H18F4N4O2
SMILES
CC1=CC(=CC(=C1C2=NOC(=N2)C(F)F)C)OCCCC3=NN=C(C=C3)C(F)F
InChI
InChI=1S/C19H18F4N4O2/c1-10-8-13(9-11(2)15(10)18-24-19(17(22)23)29-27-18)28-7-3-4-12-5-6-14(16(20)21)26-25-12/h5-6,8-9,16-17H,3-4,7H2,1-2H3
InChIKey
FPYVKJFQKNBGGK-UHFFFAOYSA-N
Compound name
5-(difluoromethyl)-3-[4-[3-[6-(difluoromethyl)pyridazin-3-yl]propoxy]-2,6-dimethylphenyl]-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.1366 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.14388 194.5
[M+Na]+ 433.12582 204.2
[M-H]- 409.12932 195.3
[M+NH4]+ 428.17042 200.1
[M+K]+ 449.09976 198.7
[M+H-H2O]+ 393.13386 179.6
[M+HCOO]- 455.13480 206.9
[M+CH3COO]- 469.15045 225.6
[M+Na-2H]- 431.11127 191.4
[M]+ 410.13605 195.4
[M]- 410.13715 195.4
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.