CID 15956977

Schembl7049815

Structural Information

Molecular Formula
C19H15N3O2
SMILES
CC1=C(N=CC=C1)C2=NOC(=N2)C3=C(C=CC4=CC=CC=C43)OC
InChI
InChI=1S/C19H15N3O2/c1-12-6-5-11-20-17(12)18-21-19(24-22-18)16-14-8-4-3-7-13(14)9-10-15(16)23-2/h3-11H,1-2H3
InChIKey
RUBZUOJZCVLQGX-UHFFFAOYSA-N
Compound name
5-(2-methoxynaphthalen-1-yl)-3-(3-methylpyridin-2-yl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

317.11642 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.12370 174.7
[M+Na]+ 340.10564 186.4
[M-H]- 316.10914 183.3
[M+NH4]+ 335.15024 186.5
[M+K]+ 356.07958 181.4
[M+H-H2O]+ 300.11368 163.9
[M+HCOO]- 362.11462 195.8
[M+CH3COO]- 376.13027 186.8
[M+Na-2H]- 338.09109 180.6
[M]+ 317.11587 180.0
[M]- 317.11697 180.0
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