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
1
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]+ 883.25514 278.4
[M+Na]+ 905.23708 290.6
[M-H]- 881.24058 283.4
[M+NH4]+ 900.28168 285.6
[M+K]+ 921.21102 284.5
[M+H-H2O]+ 865.24512 262.8
[M+HCOO]- 927.24606 286.3
[M+CH3COO]- 941.26171 288.6
[M+Na-2H]- 903.22253 300.4
[M]+ 882.24731 323.4
[M]- 882.24841 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.