CID 3066900

N-(1-(4-cyclopentylphenyl)ethyl)-n,4-dimethyl-1-piperazineacetamide dihydrochloride hydrate

Structural Information

Molecular Formula
C21H33N3O
SMILES
CC(C1=CC=C(C=C1)C2CCCC2)N(C)C(=O)CN3CCN(CC3)C
InChI
InChI=1S/C21H33N3O/c1-17(18-8-10-20(11-9-18)19-6-4-5-7-19)23(3)21(25)16-24-14-12-22(2)13-15-24/h8-11,17,19H,4-7,12-16H2,1-3H3
InChIKey
JYVHWLHNKPJVBQ-UHFFFAOYSA-N
Compound name
N-[1-(4-cyclopentylphenyl)ethyl]-N-methyl-2-(4-methylpiperazin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.26236 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.26964 187.5
[M+Na]+ 366.25158 196.4
[M+NH4]+ 361.29618 194.6
[M+K]+ 382.22552 191.9
[M-H]- 342.25508 192.1
[M+Na-2H]- 364.23703 192.6
[M]+ 343.26181 189.7
[M]- 343.26291 189.7
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.