CID 392581

Nsc693128

Structural Information

Molecular Formula
C60H58N4O4
SMILES
CC1(CC2=NC3=C(C4=CC=CC=C4C=C3)C(=C2C(=O)C1)C5=CC=C(C=C5)NC(=O)CCCCCCCCC(=O)NC6=CC=C(C=C6)C7=C8C(=NC9=C7C1=CC=CC=C1C=C9)CC(CC8=O)(C)C)C
InChI
InChI=1S/C60H58N4O4/c1-59(2)33-47-57(49(65)35-59)53(55-43-17-13-11-15-37(43)25-31-45(55)63-47)39-21-27-41(28-22-39)61-51(67)19-9-7-5-6-8-10-20-52(68)62-42-29-23-40(24-30-42)54-56-44-18-14-12-16-38(44)26-32-46(56)64-48-34-60(3,4)36-50(66)58(48)54/h11-18,21-32H,5-10,19-20,33-36H2,1-4H3,(H,61,67)(H,62,68)
InChIKey
JSSNKFQDVIDPPN-UHFFFAOYSA-N
Compound name
N,N'-bis[4-(9,9-dimethyl-11-oxo-8,10-dihydrobenzo[a]acridin-12-yl)phenyl]decanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

898.4458 Da
Monoisotopic Mass

12.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 899.45308 307.0
[M+Na]+ 921.43502 306.2
[M-H]- 897.43852 314.9
[M+NH4]+ 916.47962 299.6
[M+K]+ 937.40896 299.0
[M+H-H2O]+ 881.44306 280.4
[M+HCOO]- 943.44400 306.6
[M+CH3COO]- 957.45965 302.4
[M+Na-2H]- 919.42047 303.9
[M]+ 898.44525 305.7
[M]- 898.44635 305.7
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.