CID 15954673

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

Structural Information

Molecular Formula
C19H19F3N4O2
SMILES
CC1=C(C=CC(=C1)OCCCC2=NN=C(C=C2)C(C)F)C3=NOC(=N3)C(F)F
InChI
InChI=1S/C19H19F3N4O2/c1-11-10-14(6-7-15(11)18-23-19(17(21)22)28-26-18)27-9-3-4-13-5-8-16(12(2)20)25-24-13/h5-8,10,12,17H,3-4,9H2,1-2H3
InChIKey
KOKXKNQENFLAFF-UHFFFAOYSA-N
Compound name
5-(difluoromethyl)-3-[4-[3-[6-(1-fluoroethyl)pyridazin-3-yl]propoxy]-2-methylphenyl]-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.146 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.15328 191.1
[M+Na]+ 415.13522 199.9
[M-H]- 391.13872 192.8
[M+NH4]+ 410.17982 197.2
[M+K]+ 431.10916 194.8
[M+H-H2O]+ 375.14326 176.9
[M+HCOO]- 437.14420 204.6
[M+CH3COO]- 451.15985 221.8
[M+Na-2H]- 413.12067 189.4
[M]+ 392.14545 192.7
[M]- 392.14655 192.7
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.