CID 42961336

1-(1-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)piperazine dihydrochloride

Structural Information

Molecular Formula
C15H17F3N4O
SMILES
CC(C1=NC(=NO1)C2=CC(=CC=C2)C(F)(F)F)N3CCNCC3
InChI
InChI=1S/C15H17F3N4O/c1-10(22-7-5-19-6-8-22)14-20-13(21-23-14)11-3-2-4-12(9-11)15(16,17)18/h2-4,9-10,19H,5-8H2,1H3
InChIKey
LVMWOQVRBSZMDQ-UHFFFAOYSA-N
Compound name
5-(1-piperazin-1-ylethyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.13544 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.14272 174.3
[M+Na]+ 349.12466 180.5
[M-H]- 325.12816 173.7
[M+NH4]+ 344.16926 181.9
[M+K]+ 365.09860 175.7
[M+H-H2O]+ 309.13270 161.2
[M+HCOO]- 371.13364 182.6
[M+CH3COO]- 385.14929 181.8
[M+Na-2H]- 347.11011 174.6
[M]+ 326.13489 166.2
[M]- 326.13599 166.2
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.