CID 15954657

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

Structural Information

Molecular Formula
C19H19F3N4O3
SMILES
CC1=CC(=CC(=C1C2=NOC(=N2)C(F)(F)F)C)OCCCC3=NN=C(C=C3)OC
InChI
InChI=1S/C19H19F3N4O3/c1-11-9-14(28-8-4-5-13-6-7-15(27-3)25-24-13)10-12(2)16(11)17-23-18(29-26-17)19(20,21)22/h6-7,9-10H,4-5,8H2,1-3H3
InChIKey
AZPOTOFHTQGOMX-UHFFFAOYSA-N
Compound name
3-[4-[3-(6-methoxypyridazin-3-yl)propoxy]-2,6-dimethylphenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.14093 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.14821 196.5
[M+Na]+ 431.13015 207.0
[M-H]- 407.13365 198.9
[M+NH4]+ 426.17475 202.4
[M+K]+ 447.10409 202.2
[M+H-H2O]+ 391.13819 182.8
[M+HCOO]- 453.13913 210.4
[M+CH3COO]- 467.15478 223.3
[M+Na-2H]- 429.11560 197.1
[M]+ 408.14038 200.3
[M]- 408.14148 200.3
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.