CID 15954659

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

Structural Information

Molecular Formula
C18H17ClF2N4O2
SMILES
CC1=CC(=CC(=C1C2=NOC(=N2)C(F)F)C)OCCCC3=NN=C(C=C3)Cl
InChI
InChI=1S/C18H17ClF2N4O2/c1-10-8-13(26-7-3-4-12-5-6-14(19)24-23-12)9-11(2)15(10)17-22-18(16(20)21)27-25-17/h5-6,8-9,16H,3-4,7H2,1-2H3
InChIKey
IVTOZRFOKAZAJC-UHFFFAOYSA-N
Compound name
3-[4-[3-(6-chloropyridazin-3-yl)propoxy]-2,6-dimethylphenyl]-5-(difluoromethyl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.1008 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.10808 189.7
[M+Na]+ 417.09002 200.6
[M-H]- 393.09352 192.8
[M+NH4]+ 412.13462 197.0
[M+K]+ 433.06396 194.5
[M+H-H2O]+ 377.09806 176.6
[M+HCOO]- 439.09900 200.8
[M+CH3COO]- 453.11465 199.0
[M+Na-2H]- 415.07547 188.9
[M]+ 394.10025 195.0
[M]- 394.10135 195.0
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.