CID 3060005

N-(1-methyl-2-(4-n-butylpiperazino)ethyl)propionanilide dioxalate

Structural Information

Molecular Formula
C20H33N3O
SMILES
CCCCN1CCN(CC1)CC(C)N(C2=CC=CC=C2)C(=O)CC
InChI
InChI=1S/C20H33N3O/c1-4-6-12-21-13-15-22(16-14-21)17-18(3)23(20(24)5-2)19-10-8-7-9-11-19/h7-11,18H,4-6,12-17H2,1-3H3
InChIKey
BRPUKFSXVUGUHS-UHFFFAOYSA-N
Compound name
N-[1-(4-butylpiperazin-1-yl)propan-2-yl]-N-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.26236 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.26964 185.2
[M+Na]+ 354.25158 194.8
[M+NH4]+ 349.29618 191.6
[M+K]+ 370.22552 188.0
[M-H]- 330.25508 188.2
[M+Na-2H]- 352.23703 190.2
[M]+ 331.26181 187.1
[M]- 331.26291 187.1
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.