CID 16131246

68516-74-5

Structural Information

Molecular Formula
C46H32N8O10
SMILES
COC1=C(C=CC(=C1)[N+](=O)[O-])N=NC2=C(C(=CC3=CC=CC=C32)C(=O)NC4=CC=CC5=C4C=CC=C5NC(=O)C6=CC7=CC=CC=C7C(=C6O)N=NC8=C(C=C(C=C8)[N+](=O)[O-])OC)O
InChI
InChI=1S/C46H32N8O10/c1-63-39-23-27(53(59)60)17-19-37(39)49-51-41-29-11-5-3-9-25(29)21-33(43(41)55)45(57)47-35-15-7-14-32-31(35)13-8-16-36(32)48-46(58)34-22-26-10-4-6-12-30(26)42(44(34)56)52-50-38-20-18-28(54(61)62)24-40(38)64-2/h3-24,55-56H,1-2H3,(H,47,57)(H,48,58)
InChIKey
PLXWSHOTKFJRMU-UHFFFAOYSA-N
Compound name
3-hydroxy-N-[5-[[3-hydroxy-4-[(2-methoxy-4-nitrophenyl)diazenyl]naphthalene-2-carbonyl]amino]naphthalen-1-yl]-4-[(2-methoxy-4-nitrophenyl)diazenyl]naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

856.2241 Da
Monoisotopic Mass

10.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 857.23138 269.5
[M+Na]+ 879.21332 275.1
[M+NH4]+ 874.25792 275.5
[M+K]+ 895.18726 274.3
[M-H]- 855.21682 271.4
[M+Na-2H]- 877.19877 295.1
[M]+ 856.22355 274.2
[M]- 856.22465 274.2
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.