CID 3066113

109523-90-2

Structural Information

Molecular Formula
C20H23ClN2O2
SMILES
CN1CCN(CC1)CC(=O)OCC2=CC=C(C=C2)C3=CC=CC=C3Cl
InChI
InChI=1S/C20H23ClN2O2/c1-22-10-12-23(13-11-22)14-20(24)25-15-16-6-8-17(9-7-16)18-4-2-3-5-19(18)21/h2-9H,10-15H2,1H3
InChIKey
DHTCLCFFWYYFMJ-UHFFFAOYSA-N
Compound name
[4-(2-chlorophenyl)phenyl]methyl 2-(4-methylpiperazin-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

358.1448 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.152076 185.8
[M+Na]+ 381.134018 191.3
[M-H]- 357.137524 191.4
[M+NH4]+ 376.178623 195.9
[M+K]+ 397.107958 185.0
[M+H-H2O]+ 341.142060 174.9
[M+HCOO]- 403.143001 197.3
[M+CH3COO]- 417.158651 212.7
[M+Na-2H]- 379.119466 186.2
[M]+ 358.14425142 185.6
[M]- 358.14534858 185.6
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.