CID 15954665

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

Structural Information

Molecular Formula
C19H17F5N4O2
SMILES
CC1=CC(=CC(=C1C2=NOC(=N2)C(F)F)C)OCCCC3=NN=C(C=C3)C(F)(F)F
InChI
InChI=1S/C19H17F5N4O2/c1-10-8-13(9-11(2)15(10)17-25-18(16(20)21)30-28-17)29-7-3-4-12-5-6-14(27-26-12)19(22,23)24/h5-6,8-9,16H,3-4,7H2,1-2H3
InChIKey
HVJVTLMDFWEAJN-UHFFFAOYSA-N
Compound name
5-(difluoromethyl)-3-[2,6-dimethyl-4-[3-[6-(trifluoromethyl)pyridazin-3-yl]propoxy]phenyl]-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.12717 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.13445 198.7
[M+Na]+ 451.11639 209.2
[M-H]- 427.11989 198.5
[M+NH4]+ 446.16099 203.7
[M+K]+ 467.09033 203.3
[M+H-H2O]+ 411.12443 183.4
[M+HCOO]- 473.12537 209.3
[M+CH3COO]- 487.14102 227.3
[M+Na-2H]- 449.10184 197.0
[M]+ 428.12662 198.4
[M]- 428.12772 198.4
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.