CID 393126

Nsc694524

Structural Information

Molecular Formula
C54H46N4O4
SMILES
CC1(CC2=C(C(=O)C1)C(=C3C=CC4=CC=CC=C4C3=N2)C5=CC=C(C=C5)NC(=O)CCC(=O)NC6=CC=C(C=C6)C7=C8C=CC9=CC=CC=C9C8=NC1=C7C(=O)CC(C1)(C)C)C
InChI
InChI=1S/C54H46N4O4/c1-53(2)27-41-49(43(59)29-53)47(39-23-17-31-9-5-7-11-37(31)51(39)57-41)33-13-19-35(20-14-33)55-45(61)25-26-46(62)56-36-21-15-34(16-22-36)48-40-24-18-32-10-6-8-12-38(32)52(40)58-42-28-54(3,4)30-44(60)50(42)48/h5-24H,25-30H2,1-4H3,(H,55,61)(H,56,62)
InChIKey
FDHSMUSOBSHUJT-UHFFFAOYSA-N
Compound name
N,N'-bis[4-(10,10-dimethyl-8-oxo-9,11-dihydrobenzo[c]acridin-7-yl)phenyl]butanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

814.3519 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 815.35918 287.9
[M+Na]+ 837.34112 290.2
[M-H]- 813.34462 297.6
[M+NH4]+ 832.38572 284.1
[M+K]+ 853.31506 283.4
[M+H-H2O]+ 797.34916 262.6
[M+HCOO]- 859.35010 289.8
[M+CH3COO]- 873.36575 286.0
[M+Na-2H]- 835.32657 287.5
[M]+ 814.35135 285.9
[M]- 814.35245 285.9
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.