CID 3073543

149848-12-4

Structural Information

Molecular Formula
C28H38N2O4
SMILES
CCC(=O)OC(CCN1CCN(CC1)CCC(C2=CC=CC=C2)OC(=O)CC)C3=CC=CC=C3
InChI
InChI=1S/C28H38N2O4/c1-3-27(31)33-25(23-11-7-5-8-12-23)15-17-29-19-21-30(22-20-29)18-16-26(34-28(32)4-2)24-13-9-6-10-14-24/h5-14,25-26H,3-4,15-22H2,1-2H3
InChIKey
RKHGBIDHEXKZLE-UHFFFAOYSA-N
Compound name
[1-phenyl-3-[4-(3-phenyl-3-propanoyloxypropyl)piperazin-1-yl]propyl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.28317 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.29045 216.7
[M+Na]+ 489.27239 226.4
[M+NH4]+ 484.31699 220.8
[M+K]+ 505.24633 219.8
[M-H]- 465.27589 219.6
[M+Na-2H]- 487.25784 221.9
[M]+ 466.28262 218.5
[M]- 466.28372 218.5
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.