CID 202151

7563-86-2

Structural Information

Molecular Formula
C16H24N2O2
SMILES
CCOC(=O)C(C1=CC=C(C=C1)C)N2CCN(CC2)C
InChI
InChI=1S/C16H24N2O2/c1-4-20-16(19)15(14-7-5-13(2)6-8-14)18-11-9-17(3)10-12-18/h5-8,15H,4,9-12H2,1-3H3
InChIKey
ZLUCJOIWTUVBAL-UHFFFAOYSA-N
Compound name
ethyl 2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.18378 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.19106 167.7
[M+Na]+ 299.17300 171.9
[M-H]- 275.17650 170.5
[M+NH4]+ 294.21760 180.7
[M+K]+ 315.14694 169.3
[M+H-H2O]+ 259.18104 158.4
[M+HCOO]- 321.18198 183.0
[M+CH3COO]- 335.19763 201.0
[M+Na-2H]- 297.15845 167.9
[M]+ 276.18323 165.8
[M]- 276.18433 165.8
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.