CID 136139267

Dtxsid1069291

Structural Information

Molecular Formula
C40H23Cl3N8O8
SMILES
C1=CC=C2C(=C1)C=C(C(=C2N=NC3=C(C=C(C=C3)[N+](=O)[O-])Cl)O)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC6=CC=CC=C6C(=C5O)N=NC7=C(C=C(C=C7)[N+](=O)[O-])Cl)Cl
InChI
InChI=1S/C40H23Cl3N8O8/c41-29-17-22(44-39(54)27-15-20-5-1-3-7-25(20)35(37(27)52)48-46-33-13-10-23(50(56)57)18-30(33)42)9-12-32(29)45-40(55)28-16-21-6-2-4-8-26(21)36(38(28)53)49-47-34-14-11-24(51(58)59)19-31(34)43/h1-19,52-53H,(H,44,54)(H,45,55)
InChIKey
OPOWLSIIXBYJDA-UHFFFAOYSA-N
Compound name
N-[3-chloro-4-[[4-[(2-chloro-4-nitrophenyl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]phenyl]-4-[(2-chloro-4-nitrophenyl)diazenyl]-3-hydroxynaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

848.07043 Da
Monoisotopic Mass

11.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 849.07771 217.8
[M+Na]+ 871.05965 223.1
[M+NH4]+ 866.10425 223.6
[M+K]+ 887.03359 224.8
[M-H]- 847.06315 219.2
[M+Na-2H]- 869.04510 244.4
[M]+ 848.06988 221.7
[M]- 848.07098 221.7
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.