CID 496528

3-(4-nitrophenyl)-2h-pyridazino[1,6-a]quinolin-11-ium-1-ide

Structural Information

Molecular Formula
C18H13N3O2
SMILES
C1C(=CC2=[N+]([N-]1)C3=CC=CC=C3C=C2)C4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C18H13N3O2/c22-21(23)16-8-5-13(6-9-16)15-11-17-10-7-14-3-1-2-4-18(14)20(17)19-12-15/h1-11H,12H2
InChIKey
MLCANMGBULQXML-UHFFFAOYSA-N
Compound name
3-(4-nitrophenyl)-2H-pyridazino[1,6-a]quinolin-11-ium-1-ide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.10077 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.10805 169.6
[M+Na]+ 326.08999 174.6
[M-H]- 302.09349 173.4
[M+NH4]+ 321.13459 180.5
[M+K]+ 342.06393 159.4
[M+H-H2O]+ 286.09803 167.7
[M+HCOO]- 348.09897 186.7
[M+CH3COO]- 362.11462 192.5
[M+Na-2H]- 324.07544 180.5
[M]+ 303.10022 162.6
[M]- 303.10132 162.6
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.