CID 35783

2-ethyl-2-methylhexanoic acid 3-(4-methyl-1-piperazinyl)propyl ester hydrochloride

Structural Information

Molecular Formula
C17H34N2O2
SMILES
CCCCC(C)(CC)C(=O)OCCCN1CCN(CC1)C
InChI
InChI=1S/C17H34N2O2/c1-5-7-9-17(3,6-2)16(20)21-15-8-10-19-13-11-18(4)12-14-19/h5-15H2,1-4H3
InChIKey
BLOLIPDRRQOASJ-UHFFFAOYSA-N
Compound name
3-(4-methylpiperazin-1-yl)propyl 2-ethyl-2-methylhexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.26202 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.26930 177.8
[M+Na]+ 321.25124 185.7
[M+NH4]+ 316.29584 183.0
[M+K]+ 337.22518 180.0
[M-H]- 297.25474 176.5
[M+Na-2H]- 319.23669 179.2
[M]+ 298.26147 178.2
[M]- 298.26257 178.2
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.