CID 3060007

N-(1-methyl-2-(4-benzylpiperazino)ethyl)propionanilide dioxalate

Structural Information

Molecular Formula
C23H31N3O
SMILES
CCC(=O)N(C1=CC=CC=C1)C(C)CN2CCN(CC2)CC3=CC=CC=C3
InChI
InChI=1S/C23H31N3O/c1-3-23(27)26(22-12-8-5-9-13-22)20(2)18-24-14-16-25(17-15-24)19-21-10-6-4-7-11-21/h4-13,20H,3,14-19H2,1-2H3
InChIKey
SXBIBVXMYNIUAX-UHFFFAOYSA-N
Compound name
N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-N-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.2467 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.25398 192.5
[M+Na]+ 388.23592 204.4
[M+NH4]+ 383.28052 199.5
[M+K]+ 404.20986 196.5
[M-H]- 364.23942 198.3
[M+Na-2H]- 386.22137 200.9
[M]+ 365.24615 195.7
[M]- 365.24725 195.7
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.