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 186.1
[M+Na]+ 354.25158 186.9
[M-H]- 330.25508 189.1
[M+NH4]+ 349.29618 196.8
[M+K]+ 370.22552 184.1
[M+H-H2O]+ 314.25962 175.3
[M+HCOO]- 376.26056 201.3
[M+CH3COO]- 390.27621 217.9
[M+Na-2H]- 352.23703 184.7
[M]+ 331.26181 184.3
[M]- 331.26291 184.3
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.