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 276.9
[M+Na]+ 1085.2452 290.7
[M-H]- 1061.2487 284.5
[M+NH4]+ 1080.2898 285.7
[M+K]+ 1101.2192 284.4
[M+H-H2O]+ 1045.2533 260.6
[M+HCOO]- 1107.2542 286.1
[M+CH3COO]- 1121.2699 288.2
[M+Na-2H]- 1083.2307 312.6
[M]+ 1062.2555 331.3
[M]- 1062.2565 331.3
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.