CID 96848

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

5
References

2
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

patents stripe