CID 16131244

67892-98-2

Structural Information

Molecular Formula
C56H32N4O8
SMILES
C1=CC=C(C=C1)C(=O)NC2=C3C(=C(C=C2)NC4=CC=CC5=C4C(=O)C6=C(C5=O)C(=CC=C6)NC7=C8C(=C(C=C7)NC(=O)C9=CC=CC=C9)C(=O)C1=CC=CC=C1C8=O)C(=O)C1=CC=CC=C1C3=O
InChI
InChI=1S/C56H32N4O8/c61-49-31-17-7-9-19-33(31)51(63)47-41(59-55(67)29-13-3-1-4-14-29)27-25-39(45(47)49)57-37-23-11-21-35-43(37)53(65)36-22-12-24-38(44(36)54(35)66)58-40-26-28-42(60-56(68)30-15-5-2-6-16-30)48-46(40)50(62)32-18-8-10-20-34(32)52(48)64/h1-28,57-58H,(H,59,67)(H,60,68)
InChIKey
SKYMWPITQOCWOG-UHFFFAOYSA-N
Compound name
N-[4-[[5-[(4-benzamido-9,10-dioxoanthracen-1-yl)amino]-9,10-dioxoanthracen-1-yl]amino]-9,10-dioxoanthracen-1-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

888.222 Da
Monoisotopic Mass

11.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 889.22928 286.2
[M+Na]+ 911.21122 291.0
[M+NH4]+ 906.25582 290.4
[M+K]+ 927.18516 293.2
[M-H]- 887.21472 287.4
[M+Na-2H]- 909.19667 307.0
[M]+ 888.22145 289.3
[M]- 888.22255 289.3
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.