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

0
Patents

358.1448 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.15208 185.8
[M+Na]+ 381.13402 191.3
[M-H]- 357.13752 191.4
[M+NH4]+ 376.17862 195.9
[M+K]+ 397.10796 185.0
[M+H-H2O]+ 341.14206 174.9
[M+HCOO]- 403.14300 197.3
[M+CH3COO]- 417.15865 212.7
[M+Na-2H]- 379.11947 186.2
[M]+ 358.14425 185.6
[M]- 358.14535 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.