CID 15956972

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

Structural Information

Molecular Formula
C18H13N3O
SMILES
CC1=C(N=CC=C1)C2=NOC(=N2)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C18H13N3O/c1-12-6-5-11-19-16(12)17-20-18(22-21-17)15-10-4-8-13-7-2-3-9-14(13)15/h2-11H,1H3
InChIKey
OBURXNQWYLNCOM-UHFFFAOYSA-N
Compound name
3-(3-methylpyridin-2-yl)-5-naphthalen-1-yl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

287.10587 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.11315 166.2
[M+Na]+ 310.09509 177.7
[M-H]- 286.09859 174.5
[M+NH4]+ 305.13969 179.0
[M+K]+ 326.06903 172.2
[M+H-H2O]+ 270.10313 155.6
[M+HCOO]- 332.10407 187.5
[M+CH3COO]- 346.11972 178.6
[M+Na-2H]- 308.08054 173.4
[M]+ 287.10532 169.4
[M]- 287.10642 169.4
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