CID 16174489

118496-37-0

Structural Information

Molecular Formula
C61H40Cl2N10O5
SMILES
CC1=C(C=CC(=C1)N=NC2=CC3=C(C=C2)C4=C(C3=O)C=C(C=C4)N=NC5=CC(=C(C=C5)N=NC6=C(C(=CC7=CC=CC=C76)C(=O)NC8=CC=CC=C8Cl)O)C)N=NC9=C(C(=CC1=CC=CC=C19)C(=O)NC1=CC=CC=C1Cl)O
InChI
InChI=1S/C61H40Cl2N10O5/c1-33-27-37(21-25-51(33)70-72-55-41-13-5-3-11-35(41)29-47(58(55)75)60(77)64-53-17-9-7-15-49(53)62)66-68-39-19-23-43-44-24-20-40(32-46(44)57(74)45(43)31-39)69-67-38-22-26-52(34(2)28-38)71-73-56-42-14-6-4-12-36(42)30-48(59(56)76)61(78)65-54-18-10-8-16-50(54)63/h3-32,75-76H,1-2H3,(H,64,77)(H,65,78)
InChIKey
AXOZDBIACGANDE-UHFFFAOYSA-N
Compound name
N-(2-chlorophenyl)-4-[[4-[[7-[[4-[[3-[(2-chlorophenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-3-methylphenyl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-2-methylphenyl]diazenyl]-3-hydroxynaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1062.256 Da
Monoisotopic Mass

16.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1063.2633 275.5
[M+Na]+ 1085.2452 282.0
[M+NH4]+ 1080.2898 282.0
[M+K]+ 1101.2192 281.7
[M-H]- 1061.2487 279.3
[M+Na-2H]- 1083.2307 296.6
[M]+ 1062.2555 280.9
[M]- 1062.2565 280.9
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.