CID 16131134

4627-26-3

Structural Information

Molecular Formula
C54H48Cl2N8O14S2
SMILES
COC1=C(C=C(C=C1)S(=O)(=O)NCCNS(=O)(=O)C2=CC(=C(C=C2)OC)N=NC3=C(C(=CC4=CC=CC=C43)C(=O)NC5=CC(=C(C=C5OC)OC)Cl)O)N=NC6=C(C(=CC7=CC=CC=C76)C(=O)NC8=CC(=C(C=C8OC)OC)Cl)O
InChI
InChI=1S/C54H48Cl2N8O14S2/c1-73-43-17-15-31(23-41(43)61-63-49-33-13-9-7-11-29(33)21-35(51(49)65)53(67)59-39-25-37(55)45(75-3)27-47(39)77-5)79(69,70)57-19-20-58-80(71,72)32-16-18-44(74-2)42(24-32)62-64-50-34-14-10-8-12-30(34)22-36(52(50)66)54(68)60-40-26-38(56)46(76-4)28-48(40)78-6/h7-18,21-28,57-58,65-66H,19-20H2,1-6H3,(H,59,67)(H,60,68)
InChIKey
YOLKTTLSAVGHGI-UHFFFAOYSA-N
Compound name
N-(5-chloro-2,4-dimethoxyphenyl)-4-[[5-[2-[[3-[[3-[(5-chloro-2,4-dimethoxyphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-4-methoxyphenyl]sulfonylamino]ethylsulfamoyl]-2-methoxyphenyl]diazenyl]-3-hydroxynaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1166.2108 Da
Monoisotopic Mass

10.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1167.2181 286.0
[M+Na]+ 1189.2000 293.5
[M+NH4]+ 1184.2446 292.6
[M+K]+ 1205.1740 291.8
[M-H]- 1165.2035 288.9
[M+Na-2H]- 1187.1855 314.6
[M]+ 1166.2103 291.5
[M]- 1166.2113 291.5
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

No patent data available for this compound.