CID 15954675

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

Structural Information

Molecular Formula
C19H20F2N4O3
SMILES
CC1=CC(=CC(=C1C2=NOC(=N2)C(F)F)C)OCCCC3=NN=C(C=C3)CO
InChI
InChI=1S/C19H20F2N4O3/c1-11-8-15(27-7-3-4-13-5-6-14(10-26)24-23-13)9-12(2)16(11)18-22-19(17(20)21)28-25-18/h5-6,8-9,17,26H,3-4,7,10H2,1-2H3
InChIKey
GGIHYNPHZGVSPE-UHFFFAOYSA-N
Compound name
[6-[3-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-3,5-dimethylphenoxy]propyl]pyridazin-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.15036 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.15764 192.2
[M+Na]+ 413.13958 201.4
[M-H]- 389.14308 194.2
[M+NH4]+ 408.18418 197.9
[M+K]+ 429.11352 196.2
[M+H-H2O]+ 373.14762 179.1
[M+HCOO]- 435.14856 206.3
[M+CH3COO]- 449.16421 219.3
[M+Na-2H]- 411.12503 191.0
[M]+ 390.14981 195.3
[M]- 390.15091 195.3
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.