CID 374320

Nsc651844

Structural Information

Molecular Formula
C30H36N4O4
SMILES
C1CCN(CC1)CCC(=O)NC2=CC3=C(C=C2)C(=O)C4=C(C3=O)C=CC(=C4)NC(=O)CCC5CCCCN5
InChI
InChI=1S/C30H36N4O4/c35-27(12-9-20-6-2-3-14-31-20)32-21-7-10-23-25(18-21)29(37)24-11-8-22(19-26(24)30(23)38)33-28(36)13-17-34-15-4-1-5-16-34/h7-8,10-11,18-20,31H,1-6,9,12-17H2,(H,32,35)(H,33,36)
InChIKey
DONVTROZCUYMLR-UHFFFAOYSA-N
Compound name
N-[9,10-dioxo-6-(3-piperidin-1-ylpropanoylamino)anthracen-2-yl]-3-piperidin-2-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

516.2737 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 517.28098 221.6
[M+Na]+ 539.26292 219.7
[M-H]- 515.26642 225.2
[M+NH4]+ 534.30752 223.7
[M+K]+ 555.23686 213.0
[M+H-H2O]+ 499.27096 208.7
[M+HCOO]- 561.27190 227.9
[M+CH3COO]- 575.28755 249.7
[M+Na-2H]- 537.24837 219.2
[M]+ 516.27315 212.1
[M]- 516.27425 212.1
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.