CID 56842983

38412-17-8

Structural Information

Molecular Formula
C70H36N4O10
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)NC4=C5C(=C(C=C4)NC6=CC=CC7=C6C(=O)C8=CC=CC=C8C7=O)C(=O)C9=C(C=CC(=C9C5=O)NC1=CC=CC2=C1C(=O)C1=CC=CC=C1C2=O)NC1=CC=CC2=C1C(=O)C1=CC=CC=C1C2=O
InChI
InChI=1S/C70H36N4O10/c75-61-33-13-1-5-17-37(33)65(79)53-41(61)21-9-25-45(53)71-49-29-30-50(72-46-26-10-22-42-54(46)66(80)38-18-6-2-14-34(38)62(42)76)58-57(49)69(83)59-51(73-47-27-11-23-43-55(47)67(81)39-19-7-3-15-35(39)63(43)77)31-32-52(60(59)70(58)84)74-48-28-12-24-44-56(48)68(82)40-20-8-4-16-36(40)64(44)78/h1-32,71-74H
InChIKey
ACUCBKPCENSOBG-UHFFFAOYSA-N
Compound name
1,4,5,8-tetrakis[(9,10-dioxoanthracen-1-yl)amino]anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1092.2432 Da
Monoisotopic Mass

13.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1093.2505 307.8
[M+Na]+ 1115.2324 312.5
[M+NH4]+ 1110.2770 312.1
[M+K]+ 1131.2064 316.7
[M-H]- 1091.2359 310.7
[M+Na-2H]- 1113.2179 327.9
[M]+ 1092.2427 311.4
[M]- 1092.2437 311.4
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.