CID 15954655

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

Structural Information

Molecular Formula
C19H20F2N4O3
SMILES
CC1=CC(=CC(=C1C2=NOC(=N2)C(F)F)C)OCCCC3=NN=C(C=C3)OC
InChI
InChI=1S/C19H20F2N4O3/c1-11-9-14(27-8-4-5-13-6-7-15(26-3)24-23-13)10-12(2)16(11)18-22-19(17(20)21)28-25-18/h6-7,9-10,17H,4-5,8H2,1-3H3
InChIKey
CNHQMFLGGQDZFW-UHFFFAOYSA-N
Compound name
5-(difluoromethyl)-3-[4-[3-(6-methoxypyridazin-3-yl)propoxy]-2,6-dimethylphenyl]-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.15036 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.15764 192.0
[M+Na]+ 413.13958 201.7
[M-H]- 389.14308 195.4
[M+NH4]+ 408.18418 198.5
[M+K]+ 429.11352 197.3
[M+H-H2O]+ 373.14762 178.7
[M+HCOO]- 435.14856 207.7
[M+CH3COO]- 449.16421 221.6
[M+Na-2H]- 411.12503 191.2
[M]+ 390.14981 196.9
[M]- 390.15091 196.9
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.