CID 202139

7550-17-6

Structural Information

Molecular Formula
C15H21ClN2O2
SMILES
CCOC(=O)C(C1=CC=C(C=C1)Cl)N2CCN(CC2)C
InChI
InChI=1S/C15H21ClN2O2/c1-3-20-15(19)14(12-4-6-13(16)7-5-12)18-10-8-17(2)9-11-18/h4-7,14H,3,8-11H2,1-2H3
InChIKey
JDHONSZPFKVQRI-UHFFFAOYSA-N
Compound name
ethyl 2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.12915 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.13643 168.1
[M+Na]+ 319.11837 180.6
[M+NH4]+ 314.16297 175.4
[M+K]+ 335.09231 173.9
[M-H]- 295.12187 170.4
[M+Na-2H]- 317.10382 173.9
[M]+ 296.12860 170.7
[M]- 296.12970 170.7
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.