CID 15954658

3-pyridazinol, 6-[3-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-3,5-dimethylphenoxy]propyl]-

Structural Information

Molecular Formula
C18H18F2N4O3
SMILES
CC1=CC(=CC(=C1C2=NOC(=N2)C(F)F)C)OCCCC3=NNC(=O)C=C3
InChI
InChI=1S/C18H18F2N4O3/c1-10-8-13(26-7-3-4-12-5-6-14(25)23-22-12)9-11(2)15(10)17-21-18(16(19)20)27-24-17/h5-6,8-9,16H,3-4,7H2,1-2H3,(H,23,25)
InChIKey
WIHNBAMBWQCWDD-UHFFFAOYSA-N
Compound name
3-[3-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-3,5-dimethylphenoxy]propyl]-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.1347 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.14198 187.3
[M+Na]+ 399.12392 197.3
[M-H]- 375.12742 189.6
[M+NH4]+ 394.16852 193.6
[M+K]+ 415.09786 191.7
[M+H-H2O]+ 359.13196 174.6
[M+HCOO]- 421.13290 202.0
[M+CH3COO]- 435.14855 215.9
[M+Na-2H]- 397.10937 186.6
[M]+ 376.13415 189.4
[M]- 376.13525 189.5
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.