CID 393128

Nsc694526

Structural Information

Molecular Formula
C56H50N4O4
SMILES
CC1(CC2=C(C(=O)C1)C(=C3C=CC4=CC=CC=C4C3=N2)C5=CC=C(C=C5)NC(=O)CCCCC(=O)NC6=CC=C(C=C6)C7=C8C=CC9=CC=CC=C9C8=NC1=C7C(=O)CC(C1)(C)C)C
InChI
InChI=1S/C56H50N4O4/c1-55(2)29-43-51(45(61)31-55)49(41-27-21-33-11-5-7-13-39(33)53(41)59-43)35-17-23-37(24-18-35)57-47(63)15-9-10-16-48(64)58-38-25-19-36(20-26-38)50-42-28-22-34-12-6-8-14-40(34)54(42)60-44-30-56(3,4)32-46(62)52(44)50/h5-8,11-14,17-28H,9-10,15-16,29-32H2,1-4H3,(H,57,63)(H,58,64)
InChIKey
IXCLOLJWTHJUCC-UHFFFAOYSA-N
Compound name
N,N'-bis[4-(10,10-dimethyl-8-oxo-9,11-dihydrobenzo[c]acridin-7-yl)phenyl]hexanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

842.3832 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 843.39048 294.4
[M+Na]+ 865.37242 295.6
[M-H]- 841.37592 303.5
[M+NH4]+ 860.41702 289.4
[M+K]+ 881.34636 288.7
[M+H-H2O]+ 825.38046 268.6
[M+HCOO]- 887.38140 295.5
[M+CH3COO]- 901.39705 291.6
[M+Na-2H]- 863.35787 293.1
[M]+ 842.38265 292.6
[M]- 842.38375 292.6
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.