CID 15954674

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

Structural Information

Molecular Formula
C19H18F2N4O3
SMILES
CC1=C(C=CC(=C1)OCCCC2=NN=C(C=C2)C(=O)C)C3=NOC(=N3)C(F)F
InChI
InChI=1S/C19H18F2N4O3/c1-11-10-14(6-7-15(11)18-22-19(17(20)21)28-25-18)27-9-3-4-13-5-8-16(12(2)26)24-23-13/h5-8,10,17H,3-4,9H2,1-2H3
InChIKey
BELZDANFMVASBA-UHFFFAOYSA-N
Compound name
1-[6-[3-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-3-methylphenoxy]propyl]pyridazin-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.1347 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.14198 190.1
[M+Na]+ 411.12392 198.9
[M-H]- 387.12742 193.3
[M+NH4]+ 406.16852 196.2
[M+K]+ 427.09786 194.5
[M+H-H2O]+ 371.13196 176.8
[M+HCOO]- 433.13290 205.0
[M+CH3COO]- 447.14855 220.6
[M+Na-2H]- 409.10937 189.1
[M]+ 388.13415 193.4
[M]- 388.13525 193.4
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.