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]+ 294.08733 168.4
[M+Na]+ 316.06927 174.8
[M-H]- 292.07277 172.1
[M+NH4]+ 311.11387 179.2
[M+K]+ 332.04321 160.4
[M+H-H2O]+ 276.07731 167.4
[M+HCOO]- 338.07825 188.5
[M+CH3COO]- 352.09390 188.3
[M+Na-2H]- 314.05472 178.8
[M]+ 293.07950 164.1
[M]- 293.08060 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.