CID 15956955

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

Structural Information

Molecular Formula
C17H10N4O3
SMILES
C1=CC=C2C(=C1)C=CC=C2C3=NC(=NO3)C4=C(C=CC=N4)[N+](=O)[O-]
InChI
InChI=1S/C17H10N4O3/c22-21(23)14-9-4-10-18-15(14)16-19-17(24-20-16)13-8-3-6-11-5-1-2-7-12(11)13/h1-10H
InChIKey
PFUOBICCIUMTIF-UHFFFAOYSA-N
Compound name
5-naphthalen-1-yl-3-(3-nitropyridin-2-yl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

318.0753 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.08258 169.7
[M+Na]+ 341.06452 178.7
[M-H]- 317.06802 178.2
[M+NH4]+ 336.10912 179.7
[M+K]+ 357.03846 170.1
[M+H-H2O]+ 301.07256 163.1
[M+HCOO]- 363.07350 192.0
[M+CH3COO]- 377.08915 200.1
[M+Na-2H]- 339.04997 179.7
[M]+ 318.07475 170.9
[M]- 318.07585 170.9
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