CID 15954671

1-[6-[3-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-3,5-dimethyl-phenoxy]propyl]pyridazin-3-yl]ethanone

Structural Information

Molecular Formula
C20H20F2N4O3
SMILES
CC1=CC(=CC(=C1C2=NOC(=N2)C(F)F)C)OCCCC3=NN=C(C=C3)C(=O)C
InChI
InChI=1S/C20H20F2N4O3/c1-11-9-15(10-12(2)17(11)19-23-20(18(21)22)29-26-19)28-8-4-5-14-6-7-16(13(3)27)25-24-14/h6-7,9-10,18H,4-5,8H2,1-3H3
InChIKey
HJEDIEAZCJNVGI-UHFFFAOYSA-N
Compound name
1-[6-[3-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-3,5-dimethylphenoxy]propyl]pyridazin-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.15036 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.15764 195.2
[M+Na]+ 425.13958 204.4
[M-H]- 401.14308 198.6
[M+NH4]+ 420.18418 201.0
[M+K]+ 441.11352 199.8
[M+H-H2O]+ 385.14762 182.0
[M+HCOO]- 447.14856 209.8
[M+CH3COO]- 461.16421 224.7
[M+Na-2H]- 423.12503 192.9
[M]+ 402.14981 199.2
[M]- 402.15091 199.2
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.