CID 259799

Mls002694980

Structural Information

Molecular Formula
C19H14N2O
SMILES
CC1=CC(=CC=C1)C2=NN=C(O2)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C19H14N2O/c1-13-6-4-9-15(12-13)18-20-21-19(22-18)17-11-5-8-14-7-2-3-10-16(14)17/h2-12H,1H3
InChIKey
VLEVIOBDMUPMGI-UHFFFAOYSA-N
Compound name
2-(3-methylphenyl)-5-naphthalen-1-yl-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

286.11063 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.11791 165.4
[M+Na]+ 309.09985 184.9
[M+NH4]+ 304.14445 175.2
[M+K]+ 325.07379 177.0
[M-H]- 285.10335 174.0
[M+Na-2H]- 307.08530 177.7
[M]+ 286.11008 171.1
[M]- 286.11118 171.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.