CID 374317

Nsc651842

Structural Information

Molecular Formula
C32H40N4O6
SMILES
C1CCN(C(C1)CO)CCC(=O)NC2=CC3=C(C=C2)C(=O)C4=C(C3=O)C=CC(=C4)NC(=O)CCN5CCCCC5CO
InChI
InChI=1S/C32H40N4O6/c37-19-23-5-1-3-13-35(23)15-11-29(39)33-21-7-9-25-27(17-21)31(41)26-10-8-22(18-28(26)32(25)42)34-30(40)12-16-36-14-4-2-6-24(36)20-38/h7-10,17-18,23-24,37-38H,1-6,11-16,19-20H2,(H,33,39)(H,34,40)
InChIKey
BUISKGYSTRTFJV-UHFFFAOYSA-N
Compound name
3-[2-(hydroxymethyl)piperidin-1-yl]-N-[6-[3-[2-(hydroxymethyl)piperidin-1-yl]propanoylamino]-9,10-dioxoanthracen-2-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

576.2948 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 577.30208 235.3
[M+Na]+ 599.28402 233.0
[M-H]- 575.28752 237.8
[M+NH4]+ 594.32862 234.5
[M+K]+ 615.25796 227.7
[M+H-H2O]+ 559.29206 222.6
[M+HCOO]- 621.29300 239.4
[M+CH3COO]- 635.30865 261.1
[M+Na-2H]- 597.26947 231.0
[M]+ 576.29425 228.4
[M]- 576.29535 228.4
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.