CID 44149725

93918-41-3

Structural Information

Molecular Formula
C58H34N4O6
SMILES
C1=CC=C(C=C1)C(=O)NC2=C3C(=C(C=C2)NC4=CC5=C(C=C4)C6=C7C5=CC=CC7=C(C=C6)NC8=C9C(=C(C=C8)NC(=O)C1=CC=CC=C1)C(=O)C1=CC=CC=C1C9=O)C(=O)C1=CC=CC=C1C3=O
InChI
InChI=1S/C58H34N4O6/c63-53-37-16-7-9-18-39(37)55(65)51-46(61-57(67)31-12-3-1-4-13-31)28-26-44(49(51)53)59-33-22-23-34-36-24-25-43(41-21-11-20-35(48(36)41)42(34)30-33)60-45-27-29-47(62-58(68)32-14-5-2-6-15-32)52-50(45)54(64)38-17-8-10-19-40(38)56(52)66/h1-30,59-60H,(H,61,67)(H,62,68)
InChIKey
XOIJSJYZLUNZQV-UHFFFAOYSA-N
Compound name
N-[4-[[3-[(4-benzamido-9,10-dioxoanthracen-1-yl)amino]fluoranthen-8-yl]amino]-9,10-dioxoanthracen-1-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

882.24786 Da
Monoisotopic Mass

12.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 883.255136 278.4
[M+Na]+ 905.237078 290.6
[M-H]- 881.240584 283.4
[M+NH4]+ 900.281683 285.6
[M+K]+ 921.211018 284.5
[M+H-H2O]+ 865.245120 262.8
[M+HCOO]- 927.246061 286.3
[M+CH3COO]- 941.261711 288.6
[M+Na-2H]- 903.222526 300.4
[M]+ 882.24731142 323.4
[M]- 882.24840858 323.4
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.