CID 3084690

38157-00-5

Structural Information

Molecular Formula
C34H16N2O6
SMILES
C1=CC2=C(C=CC3=C2C(=C1)C(=O)C4=C3C=CC(=C4)[N+](=O)[O-])C5=C6C=CC=C7C6=C(C=C5)C8=C(C7=O)C=C(C=C8)[N+](=O)[O-]
InChI
InChI=1S/C34H16N2O6/c37-33-27-5-1-3-23-19(11-13-25(31(23)27)21-9-7-17(35(39)40)15-29(21)33)20-12-14-26-22-10-8-18(36(41)42)16-30(22)34(38)28-6-2-4-24(20)32(26)28/h1-16H
InChIKey
SUVZNHFNCGLZMN-UHFFFAOYSA-N
Compound name
9-nitro-3-(9-nitro-7-oxobenzo[a]phenalen-3-yl)benzo[b]phenalen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

548.1008 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 549.10808 229.4
[M+Na]+ 571.09002 250.4
[M+NH4]+ 566.13462 238.7
[M+K]+ 587.06396 242.5
[M-H]- 547.09352 239.9
[M+Na-2H]- 569.07547 234.9
[M]+ 548.10025 235.8
[M]- 548.10135 235.8
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.