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 166.0
[M+Na]+ 309.09985 177.1
[M-H]- 285.10335 175.6
[M+NH4]+ 304.14445 180.3
[M+K]+ 325.07379 171.7
[M+H-H2O]+ 269.10789 156.1
[M+HCOO]- 331.10883 188.4
[M+CH3COO]- 345.12448 178.8
[M+Na-2H]- 307.08530 172.8
[M]+ 286.11008 169.1
[M]- 286.11118 169.1
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.