CID 393127

Nsc694525

Structural Information

Molecular Formula
C55H48N4O4
SMILES
CC1(CC2=C(C(=O)C1)C(=C3C=CC4=CC=CC=C4C3=N2)C5=CC=C(C=C5)NC(=O)CCCC(=O)NC6=CC=C(C=C6)C7=C8C=CC9=CC=CC=C9C8=NC1=C7C(=O)CC(C1)(C)C)C
InChI
InChI=1S/C55H48N4O4/c1-54(2)28-42-50(44(60)30-54)48(40-26-20-32-10-5-7-12-38(32)52(40)58-42)34-16-22-36(23-17-34)56-46(62)14-9-15-47(63)57-37-24-18-35(19-25-37)49-41-27-21-33-11-6-8-13-39(33)53(41)59-43-29-55(3,4)31-45(61)51(43)49/h5-8,10-13,16-27H,9,14-15,28-31H2,1-4H3,(H,56,62)(H,57,63)
InChIKey
MXOFKDCWHWRLIS-UHFFFAOYSA-N
Compound name
N,N'-bis[4-(10,10-dimethyl-8-oxo-9,11-dihydrobenzo[c]acridin-7-yl)phenyl]pentanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

828.36755 Da
Monoisotopic Mass

10.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 829.37483 291.2
[M+Na]+ 851.35677 292.9
[M-H]- 827.36027 300.5
[M+NH4]+ 846.40137 286.8
[M+K]+ 867.33071 286.0
[M+H-H2O]+ 811.36481 265.6
[M+HCOO]- 873.36575 292.6
[M+CH3COO]- 887.38140 288.8
[M+Na-2H]- 849.34222 290.3
[M]+ 828.36700 289.2
[M]- 828.36810 289.2
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.