CID 121285

2014-31-5

Structural Information

Molecular Formula
C15H21ClN2O2
SMILES
CC1=C(C(=CC=C1)Cl)OC(=O)C(C)N2CCN(CC2)C
InChI
InChI=1S/C15H21ClN2O2/c1-11-5-4-6-13(16)14(11)20-15(19)12(2)18-9-7-17(3)8-10-18/h4-6,12H,7-10H2,1-3H3
InChIKey
WKYJZONMAIZEGM-UHFFFAOYSA-N
Compound name
(2-chloro-6-methylphenyl) 2-(4-methylpiperazin-1-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.12915 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.13643 168.0
[M+Na]+ 319.11837 174.3
[M-H]- 295.12187 171.2
[M+NH4]+ 314.16297 181.4
[M+K]+ 335.09231 170.3
[M+H-H2O]+ 279.12641 159.7
[M+HCOO]- 341.12735 179.1
[M+CH3COO]- 355.14300 202.9
[M+Na-2H]- 317.10382 167.7
[M]+ 296.12860 168.3
[M]- 296.12970 168.3
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.