CID 5897185

5997-74-0

Structural Information

Molecular Formula
C16H11N3O3
SMILES
C1=CC=C2C(=C1)C(=C[N+](=N2)[O-])/C=C/C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C16H11N3O3/c20-18-11-13(15-3-1-2-4-16(15)17-18)8-5-12-6-9-14(10-7-12)19(21)22/h1-11H/b8-5+
InChIKey
LYOPOIDBBPJWAO-VMPITWQZSA-N
Compound name
4-[(E)-2-(4-nitrophenyl)ethenyl]-2-oxidocinnolin-2-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.08005 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.087326 168.4
[M+Na]+ 316.069268 174.8
[M-H]- 292.072774 172.1
[M+NH4]+ 311.113873 179.2
[M+K]+ 332.043208 160.4
[M+H-H2O]+ 276.077310 167.4
[M+HCOO]- 338.078251 188.5
[M+CH3COO]- 352.093901 188.3
[M+Na-2H]- 314.054716 178.8
[M]+ 293.07950142 164.1
[M]- 293.08059858 164.1
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.