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]+ 304.108046 169.6
[M+Na]+ 326.089988 174.6
[M-H]- 302.093494 173.4
[M+NH4]+ 321.134593 180.5
[M+K]+ 342.063928 159.4
[M+H-H2O]+ 286.098030 167.7
[M+HCOO]- 348.098971 186.7
[M+CH3COO]- 362.114621 192.5
[M+Na-2H]- 324.075436 180.5
[M]+ 303.10022142 162.6
[M]- 303.10131858 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.