CID 3019093

3,8-dinitro-6-phenylphenanthridine

Structural Information

Molecular Formula
C19H11N3O4
SMILES
C1=CC=C(C=C1)C2=C3C=C(C=CC3=C4C=CC(=CC4=N2)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C19H11N3O4/c23-21(24)13-6-8-15-16-9-7-14(22(25)26)11-18(16)20-19(17(15)10-13)12-4-2-1-3-5-12/h1-11H
InChIKey
FCDIEAMONAJOJE-UHFFFAOYSA-N
Compound name
3,8-dinitro-6-phenylphenanthridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

345.07495 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.08223 177.0
[M+Na]+ 368.06417 183.0
[M-H]- 344.06767 184.1
[M+NH4]+ 363.10877 187.6
[M+K]+ 384.03811 169.8
[M+H-H2O]+ 328.07221 175.0
[M+HCOO]- 390.07315 199.3
[M+CH3COO]- 404.08880 203.9
[M+Na-2H]- 366.04962 188.7
[M]+ 345.07440 175.3
[M]- 345.07550 175.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe