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]+ 411.264236 204.0
[M+Na]+ 433.246178 203.9
[M-H]- 409.249684 208.0
[M+NH4]+ 428.290783 210.1
[M+K]+ 449.220118 199.3
[M+H-H2O]+ 393.254220 191.2
[M+HCOO]- 455.255161 217.4
[M+CH3COO]- 469.270811 224.2
[M+Na-2H]- 431.231626 202.6
[M]+ 410.25641142 203.0
[M]- 410.25750858 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.