CID 3066842

111415-81-7

Structural Information

Molecular Formula
C20H16N3O2
SMILES
C[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)[N+](=O)[O-]
InChI
InChI=1S/C20H16N3O2/c1-22-19-12-15(23(24)25)8-10-17(19)16-9-7-14(21)11-18(16)20(22)13-5-3-2-4-6-13/h2-12H,21H2,1H3/q+1
InChIKey
DSIKEOQKOQVQLC-UHFFFAOYSA-N
Compound name
5-methyl-3-nitro-6-phenylphenanthridin-5-ium-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.12424 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.13152 179.2
[M+Na]+ 353.11346 187.2
[M-H]- 329.11696 186.6
[M+NH4]+ 348.15806 191.5
[M+K]+ 369.08740 171.3
[M+H-H2O]+ 313.12150 176.0
[M+HCOO]- 375.12244 200.8
[M+CH3COO]- 389.13809 203.3
[M+Na-2H]- 351.09891 190.1
[M]+ 330.12369 177.2
[M]- 330.12479 177.2
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.