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-methyl-2-pyridinyl)-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]+ 318.123696 174.7
[M+Na]+ 340.105638 186.4
[M-H]- 316.109144 183.3
[M+NH4]+ 335.150243 186.5
[M+K]+ 356.079578 181.4
[M+H-H2O]+ 300.113680 163.9
[M+HCOO]- 362.114621 195.8
[M+CH3COO]- 376.130271 186.8
[M+Na-2H]- 338.091086 180.6
[M]+ 317.11587142 180.0
[M]- 317.11696858 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