CID 56842983

Dtxsid8068096

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 306.9
[M+Na]+ 1115.2324 318.5
[M-H]- 1091.2359 310.5
[M+NH4]+ 1110.2770 313.2
[M+K]+ 1131.2064 308.9
[M+H-H2O]+ 1075.2405 295.1
[M+HCOO]- 1137.2414 313.4
[M+CH3COO]- 1151.2571 314.9
[M+Na-2H]- 1113.2179 328.4
[M]+ 1092.2427 347.3
[M]- 1092.2437 347.3
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

patents stripe