CID 3044491

Brn 0773155

Structural Information

Molecular Formula
C32H40N4O4
SMILES
CCC1(CCC(=O)N(C1=O)CN2CCN(CC2)CN3C(=O)CCC(C3=O)(CC)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C32H40N4O4/c1-3-31(25-11-7-5-8-12-25)17-15-27(37)35(29(31)39)23-33-19-21-34(22-20-33)24-36-28(38)16-18-32(4-2,30(36)40)26-13-9-6-10-14-26/h5-14H,3-4,15-24H2,1-2H3
InChIKey
YRWXJQDVSFBCLN-UHFFFAOYSA-N
Compound name
3-ethyl-1-[[4-[(3-ethyl-2,6-dioxo-3-phenylpiperidin-1-yl)methyl]piperazin-1-yl]methyl]-3-phenylpiperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

544.30493 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 545.31221 239.0
[M+Na]+ 567.29415 240.8
[M-H]- 543.29765 246.1
[M+NH4]+ 562.33875 240.2
[M+K]+ 583.26809 233.9
[M+H-H2O]+ 527.30219 221.8
[M+HCOO]- 589.30313 243.3
[M+CH3COO]- 603.31878 241.3
[M+Na-2H]- 565.27960 232.9
[M]+ 544.30438 231.0
[M]- 544.30548 231.0
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.