CID 60445

1-imidazolidineacetic acid, 2,5-dioxo-4,4-diphenyl-3-(2-hydroxy-3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)-, ethyl ester, dihydrochloride

Structural Information

Molecular Formula
C28H36N4O6
SMILES
CCOC(=O)CN1C(=O)C(N(C1=O)CC(CN2CCN(CC2)CCO)O)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C28H36N4O6/c1-2-38-25(35)21-31-26(36)28(22-9-5-3-6-10-22,23-11-7-4-8-12-23)32(27(31)37)20-24(34)19-30-15-13-29(14-16-30)17-18-33/h3-12,24,33-34H,2,13-21H2,1H3
InChIKey
BZJIIACQWSZQTG-UHFFFAOYSA-N
Compound name
ethyl 2-[3-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

524.2635 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 525.27078 226.9
[M+Na]+ 547.25272 235.4
[M+NH4]+ 542.29732 229.7
[M+K]+ 563.22666 231.1
[M-H]- 523.25622 228.2
[M+Na-2H]- 545.23817 231.0
[M]+ 524.26295 228.0
[M]- 524.26405 228.0
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.