CID 15954651

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

Structural Information

Molecular Formula
C19H19F3N4O2
SMILES
CCC1=NN=C(C=C1)CCCOC2=CC(=C(C=C2)C3=NOC(=N3)C(F)(F)F)C
InChI
InChI=1S/C19H19F3N4O2/c1-3-13-6-7-14(25-24-13)5-4-10-27-15-8-9-16(12(2)11-15)17-23-18(28-26-17)19(20,21)22/h6-9,11H,3-5,10H2,1-2H3
InChIKey
ZRFFOJMWLMOGGH-UHFFFAOYSA-N
Compound name
3-[4-[3-(6-ethylpyridazin-3-yl)propoxy]-2-methylphenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.146 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.15328 193.0
[M+Na]+ 415.13522 202.8
[M-H]- 391.13872 194.9
[M+NH4]+ 410.17982 199.4
[M+K]+ 431.10916 197.3
[M+H-H2O]+ 375.14326 179.1
[M+HCOO]- 437.14420 206.8
[M+CH3COO]- 451.15985 219.9
[M+Na-2H]- 413.12067 194.2
[M]+ 392.14545 195.0
[M]- 392.14655 195.0
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.