CID 15954670

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

Structural Information

Molecular Formula
C20H21F3N4O2
SMILES
CC1=CC(=CC(=C1C2=NOC(=N2)C(F)F)C)OCCCC3=NN=C(C=C3)C(C)F
InChI
InChI=1S/C20H21F3N4O2/c1-11-9-15(10-12(2)17(11)19-24-20(18(22)23)29-27-19)28-8-4-5-14-6-7-16(13(3)21)26-25-14/h6-7,9-10,13,18H,4-5,8H2,1-3H3
InChIKey
IQZGIWHXCWSJAN-UHFFFAOYSA-N
Compound name
5-(difluoromethyl)-3-[4-[3-[6-(1-fluoroethyl)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

406.16165 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.16893 196.3
[M+Na]+ 429.15087 205.6
[M-H]- 405.15437 198.3
[M+NH4]+ 424.19547 202.1
[M+K]+ 445.12481 200.3
[M+H-H2O]+ 389.15891 182.2
[M+HCOO]- 451.15985 209.4
[M+CH3COO]- 465.17550 225.9
[M+Na-2H]- 427.13632 193.3
[M]+ 406.16110 198.6
[M]- 406.16220 198.6
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.