CID 282543

11-nitrodibenzo(a,c)phenazine

Structural Information

Molecular Formula
C20H11N3O2
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3C4=NC5=C(C=CC(=C5)[N+](=O)[O-])N=C24
InChI
InChI=1S/C20H11N3O2/c24-23(25)12-9-10-17-18(11-12)22-20-16-8-4-2-6-14(16)13-5-1-3-7-15(13)19(20)21-17/h1-11H
InChIKey
LJVWTGJLCXLVOI-UHFFFAOYSA-N
Compound name
11-nitrophenanthro[9,10-b]quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

325.0851 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.09238 170.6
[M+Na]+ 348.07432 180.8
[M-H]- 324.07782 175.9
[M+NH4]+ 343.11892 184.4
[M+K]+ 364.04826 169.6
[M+H-H2O]+ 308.08236 163.7
[M+HCOO]- 370.08330 190.5
[M+CH3COO]- 384.09895 207.1
[M+Na-2H]- 346.05977 185.3
[M]+ 325.08455 172.5
[M]- 325.08565 172.5
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

patents stripe