CID 5470045

Nsc697099

Structural Information

Molecular Formula
C56H46N4O4
SMILES
CC1=CC2=C(/C(=C/NC3=C4C(=NC5=CC=CC=C35)C=CC=C4)/C(=O)C(=C2C(C)C)O)C=C1C6=CC\7=C(C(=C(C(=O)/C7=C\NC8=C9C(=NC1=CC=CC=C81)C=CC=C9)O)C(C)C)C=C6C
InChI
InChI=1S/C56H46N4O4/c1-29(2)49-41-23-31(5)37(25-39(41)43(53(61)55(49)63)27-57-51-33-15-7-11-19-45(33)59-46-20-12-8-16-34(46)51)38-26-40-42(24-32(38)6)50(30(3)4)56(64)54(62)44(40)28-58-52-35-17-9-13-21-47(35)60-48-22-14-10-18-36(48)52/h7-30,63-64H,1-6H3,(H,57,59)(H,58,60)/b43-27-,44-28-
InChIKey
HGAWWVKBUOVZAC-IOCOXZLVSA-N
Compound name
(1Z)-1-[(acridin-9-ylamino)methylidene]-7-[(8Z)-8-[(acridin-9-ylamino)methylidene]-6-hydroxy-3-methyl-7-oxo-5-propan-2-ylnaphthalen-2-yl]-3-hydroxy-6-methyl-4-propan-2-ylnaphthalen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

838.3519 Da
Monoisotopic Mass

12.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 839.35918 299.7
[M+Na]+ 861.34112 301.6
[M-H]- 837.34462 308.5
[M+NH4]+ 856.38572 291.2
[M+K]+ 877.31506 294.6
[M+H-H2O]+ 821.34916 278.2
[M+HCOO]- 883.35010 300.3
[M+CH3COO]- 897.36575 296.7
[M+Na-2H]- 859.32657 295.6
[M]+ 838.35135 298.8
[M]- 838.35245 298.8
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.