CID 4063868

108112-52-3

Structural Information

Molecular Formula
C26H16N6O6
SMILES
C1=CC=C2C(=C1)N=C3C=C(C(=CC3=N2)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-])NC(=O)C5=CC(=CC=C5)[N+](=O)[O-]
InChI
InChI=1S/C26H16N6O6/c33-25(15-5-3-7-17(11-15)31(35)36)29-23-13-21-22(28-20-10-2-1-9-19(20)27-21)14-24(23)30-26(34)16-6-4-8-18(12-16)32(37)38/h1-14H,(H,29,33)(H,30,34)
InChIKey
QNZWKZXADVUCFT-UHFFFAOYSA-N
Compound name
3-nitro-N-[3-[(3-nitrobenzoyl)amino]phenazin-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

508.11313 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.12041 213.6
[M+Na]+ 531.10235 229.5
[M+NH4]+ 526.14695 218.3
[M+K]+ 547.07629 227.1
[M-H]- 507.10585 222.5
[M+Na-2H]- 529.08780 222.4
[M]+ 508.11258 218.0
[M]- 508.11368 218.0
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.