CID 96846

2-(3-methoxyphenyl)-5-(2-naphthyl)-1,3,4-oxadiazole

Structural Information

Molecular Formula
C19H14N2O2
SMILES
COC1=CC=CC(=C1)C2=NN=C(O2)C3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C19H14N2O2/c1-22-17-8-4-7-15(12-17)18-20-21-19(23-18)16-10-9-13-5-2-3-6-14(13)11-16/h2-12H,1H3
InChIKey
SKSQMTDHWXDWFS-UHFFFAOYSA-N
Compound name
2-(3-methoxyphenyl)-5-naphthalen-2-yl-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

302.10553 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.112806 169.1
[M+Na]+ 325.094748 180.0
[M-H]- 301.098254 178.8
[M+NH4]+ 320.139353 182.7
[M+K]+ 341.068688 175.3
[M+H-H2O]+ 285.102790 159.1
[M+HCOO]- 347.103731 191.7
[M+CH3COO]- 361.119381 181.8
[M+Na-2H]- 323.080196 176.0
[M]+ 302.10498142 173.6
[M]- 302.10607858 173.6
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.