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 196.7
[M+Na]+ 402.25158 196.8
[M-H]- 378.25508 202.4
[M+NH4]+ 397.29618 204.6
[M+K]+ 418.22552 192.3
[M+H-H2O]+ 362.25962 184.3
[M+HCOO]- 424.26056 211.7
[M+CH3COO]- 438.27621 225.5
[M+Na-2H]- 400.23703 195.8
[M]+ 379.26181 193.4
[M]- 379.26291 193.4
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.