CID 3046272

1-piperazinepropionic acid, 4-(3-(diphenylmethoxy)propyl)-, ethyl ester, dihydrochloride

Structural Information

Molecular Formula
C25H34N2O3
SMILES
CCOC(=O)CCN1CCN(CC1)CCCOC(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C25H34N2O3/c1-2-29-24(28)14-16-27-19-17-26(18-20-27)15-9-21-30-25(22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-8,10-13,25H,2,9,14-21H2,1H3
InChIKey
LBBIBFOAKUQPCE-UHFFFAOYSA-N
Compound name
ethyl 3-[4-(3-benzhydryloxypropyl)piperazin-1-yl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.25696 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.26424 204.0
[M+Na]+ 433.24618 203.9
[M-H]- 409.24968 208.0
[M+NH4]+ 428.29078 210.1
[M+K]+ 449.22012 199.3
[M+H-H2O]+ 393.25422 191.2
[M+HCOO]- 455.25516 217.4
[M+CH3COO]- 469.27081 224.2
[M+Na-2H]- 431.23163 202.6
[M]+ 410.25641 203.0
[M]- 410.25751 203.0
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.