CID 15956962

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

Structural Information

Molecular Formula
C14H10N4O4
SMILES
COC1=CC=CC(=C1)C2=NC(=NO2)C3=C(C=CC=N3)[N+](=O)[O-]
InChI
InChI=1S/C14H10N4O4/c1-21-10-5-2-4-9(8-10)14-16-13(17-22-14)12-11(18(19)20)6-3-7-15-12/h2-8H,1H3
InChIKey
JOBYHPKYSUOIDA-UHFFFAOYSA-N
Compound name
5-(3-methoxyphenyl)-3-(3-nitropyridin-2-yl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

298.0702 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.07748 164.1
[M+Na]+ 321.05942 172.2
[M-H]- 297.06292 171.7
[M+NH4]+ 316.10402 174.2
[M+K]+ 337.03336 165.6
[M+H-H2O]+ 281.06746 158.0
[M+HCOO]- 343.06840 186.8
[M+CH3COO]- 357.08405 195.4
[M+Na-2H]- 319.04487 172.3
[M]+ 298.06965 165.5
[M]- 298.07075 165.5
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

No patent data available for this compound.