CID 3060009

N-(1-methyl-2-(4-phenethylpiperazino)ethyl)propionanilide oxalate (1:2)

Structural Information

Molecular Formula
C24H33N3O
SMILES
CCC(=O)N(C1=CC=CC=C1)C(C)CN2CCN(CC2)CCC3=CC=CC=C3
InChI
InChI=1S/C24H33N3O/c1-3-24(28)27(23-12-8-5-9-13-23)21(2)20-26-18-16-25(17-19-26)15-14-22-10-6-4-7-11-22/h4-13,21H,3,14-20H2,1-2H3
InChIKey
QSZXXMXZCPVCCT-UHFFFAOYSA-N
Compound name
N-phenyl-N-[1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.26236 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.26964 196.9
[M+Na]+ 402.25158 208.6
[M+NH4]+ 397.29618 203.8
[M+K]+ 418.22552 200.4
[M-H]- 378.25508 202.6
[M+Na-2H]- 400.23703 205.1
[M]+ 379.26181 200.1
[M]- 379.26291 200.1
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.