CID 218022

1-(1-(4-methoxyphenyl)-3-phenylpropyl)-4-ethoxycarbonylpiperazine maleate hemihydrate

Structural Information

Molecular Formula
C23H30N2O3
SMILES
CCOC(=O)N1CCN(CC1)C(CCC2=CC=CC=C2)C3=CC=C(C=C3)OC
InChI
InChI=1S/C23H30N2O3/c1-3-28-23(26)25-17-15-24(16-18-25)22(14-9-19-7-5-4-6-8-19)20-10-12-21(27-2)13-11-20/h4-8,10-13,22H,3,9,14-18H2,1-2H3
InChIKey
ZEUOLKHNIGXQNU-UHFFFAOYSA-N
Compound name
ethyl 4-[1-(4-methoxyphenyl)-3-phenylpropyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.22565 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.23293 195.8
[M+Na]+ 405.21487 208.3
[M+NH4]+ 400.25947 202.0
[M+K]+ 421.18881 200.6
[M-H]- 381.21837 200.1
[M+Na-2H]- 403.20032 203.1
[M]+ 382.22510 198.7
[M]- 382.22620 198.7
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.