CID 15956942

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

Structural Information

Molecular Formula
C18H13N3O2
SMILES
COC1=C(C2=CC=CC=C2C=C1)C3=NC(=NO3)C4=CC=CC=N4
InChI
InChI=1S/C18H13N3O2/c1-22-15-10-9-12-6-2-3-7-13(12)16(15)18-20-17(21-23-18)14-8-4-5-11-19-14/h2-11H,1H3
InChIKey
CVRIZNZJBMATCZ-UHFFFAOYSA-N
Compound name
5-(2-methoxynaphthalen-1-yl)-3-pyridin-2-yl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

303.10077 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.108046 169.2
[M+Na]+ 326.089988 180.5
[M-H]- 302.093494 177.5
[M+NH4]+ 321.134593 181.2
[M+K]+ 342.063928 175.6
[M+H-H2O]+ 286.098030 158.4
[M+HCOO]- 348.098971 190.6
[M+CH3COO]- 362.114621 181.4
[M+Na-2H]- 324.075436 176.4
[M]+ 303.10022142 173.7
[M]- 303.10131858 173.7
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