CID 15341411

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

Structural Information

Molecular Formula
C20H22F2N4O3
SMILES
CC1=CC(=CC(=C1OCCCC2=NN=C(C=C2)COC)C)C3=NOC(=N3)C(F)F
InChI
InChI=1S/C20H22F2N4O3/c1-12-9-14(19-23-20(18(21)22)29-26-19)10-13(2)17(12)28-8-4-5-15-6-7-16(11-27-3)25-24-15/h6-7,9-10,18H,4-5,8,11H2,1-3H3
InChIKey
DQCBZXGSXWGOJM-UHFFFAOYSA-N
Compound name
5-(difluoromethyl)-3-[4-[3-[6-(methoxymethyl)pyridazin-3-yl]propoxy]-3,5-dimethylphenyl]-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.166 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.17328 196.5
[M+Na]+ 427.15522 205.7
[M-H]- 403.15872 199.7
[M+NH4]+ 422.19982 202.3
[M+K]+ 443.12916 201.1
[M+H-H2O]+ 387.16326 182.9
[M+HCOO]- 449.16420 211.8
[M+CH3COO]- 463.17985 224.5
[M+Na-2H]- 425.14067 195.2
[M]+ 404.16545 201.7
[M]- 404.16655 201.7
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.