CID 15954660

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

Structural Information

Molecular Formula
C18H17BrF2N4O2
SMILES
CC1=CC(=CC(=C1C2=NOC(=N2)C(F)F)C)OCCCC3=NN=C(C=C3)Br
InChI
InChI=1S/C18H17BrF2N4O2/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
XLYXNTHPXHGFKH-UHFFFAOYSA-N
Compound name
3-[4-[3-(6-bromopyridazin-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

438.0503 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.05758 193.8
[M+Na]+ 461.03952 206.4
[M-H]- 437.04302 199.8
[M+NH4]+ 456.08412 202.9
[M+K]+ 477.01346 194.4
[M+H-H2O]+ 421.04756 188.3
[M+HCOO]- 483.04850 207.8
[M+CH3COO]- 497.06415 223.9
[M+Na-2H]- 459.02497 194.6
[M]+ 438.04975 215.5
[M]- 438.05085 215.5
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.