CID 56440

N-(1-anthraquinonyl)-n'-cyclohexyloxamide

Structural Information

Molecular Formula
C22H20N2O4
SMILES
C1CCC(CC1)NC(=O)C(=O)NC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C22H20N2O4/c25-19-14-9-4-5-10-15(14)20(26)18-16(19)11-6-12-17(18)24-22(28)21(27)23-13-7-2-1-3-8-13/h4-6,9-13H,1-3,7-8H2,(H,23,27)(H,24,28)
InChIKey
YJXASEUBFNSRBP-UHFFFAOYSA-N
Compound name
N-cyclohexyl-N'-(9,10-dioxoanthracen-1-yl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.1423 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.14958 186.8
[M+Na]+ 399.13152 197.7
[M+NH4]+ 394.17612 193.7
[M+K]+ 415.10546 190.9
[M-H]- 375.13502 191.5
[M+Na-2H]- 397.11697 191.5
[M]+ 376.14175 189.3
[M]- 376.14285 189.3
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.