CID 2804802

Oprea1_389866

Structural Information

Molecular Formula
C17H10N4O4
SMILES
C1=CC(=CN=C1)OC2=C(C(=C(C=C2)[N+](=O)[O-])OC3=CN=CC=C3)C#N
InChI
InChI=1S/C17H10N4O4/c18-9-14-16(24-12-3-1-7-19-10-12)6-5-15(21(22)23)17(14)25-13-4-2-8-20-11-13/h1-8,10-11H
InChIKey
WZQVWLXSZYRTAM-UHFFFAOYSA-N
Compound name
3-nitro-2,6-dipyridin-3-yloxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

334.0702 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.077476 180.3
[M+Na]+ 357.059418 188.5
[M-H]- 333.062924 184.6
[M+NH4]+ 352.104023 187.6
[M+K]+ 373.033358 179.0
[M+H-H2O]+ 317.067460 166.2
[M+HCOO]- 379.068401 198.7
[M+CH3COO]- 393.084051 212.7
[M+Na-2H]- 355.044866 186.7
[M]+ 334.06965142 174.7
[M]- 334.07074858 174.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.