CID 15957011

2-(5-naphthalen-1-yl-[1,2,4]oxadiazol-3-yl)-5-trifluoromethyl-pyridine

Structural Information

Molecular Formula
C18H10F3N3O
SMILES
C1=CC=C2C(=C1)C=CC=C2C3=NC(=NO3)C4=NC=C(C=C4)C(F)(F)F
InChI
InChI=1S/C18H10F3N3O/c19-18(20,21)12-8-9-15(22-10-12)16-23-17(25-24-16)14-7-3-5-11-4-1-2-6-13(11)14/h1-10H
InChIKey
VNPNRLLOOSUUMV-UHFFFAOYSA-N
Compound name
5-naphthalen-1-yl-3-[5-(trifluoromethyl)pyridin-2-yl]-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

341.0776 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.08488 176.6
[M+Na]+ 364.06682 188.7
[M-H]- 340.07032 181.3
[M+NH4]+ 359.11142 187.2
[M+K]+ 380.04076 182.2
[M+H-H2O]+ 324.07486 163.7
[M+HCOO]- 386.07580 193.0
[M+CH3COO]- 400.09145 187.4
[M+Na-2H]- 362.05227 182.7
[M]+ 341.07705 176.3
[M]- 341.07815 176.3
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

patents stripe