CID 56440

92573-29-0

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 184.0
[M+Na]+ 399.13152 187.5
[M-H]- 375.13502 190.9
[M+NH4]+ 394.17612 196.3
[M+K]+ 415.10546 183.1
[M+H-H2O]+ 359.13956 174.7
[M+HCOO]- 421.14050 200.5
[M+CH3COO]- 435.15615 223.5
[M+Na-2H]- 397.11697 186.5
[M]+ 376.14175 179.1
[M]- 376.14285 179.1
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.