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 185.9
[M+Na]+ 381.13402 201.1
[M+NH4]+ 376.17862 193.6
[M+K]+ 397.10796 192.0
[M-H]- 357.13752 191.2
[M+Na-2H]- 379.11947 194.6
[M]+ 358.14425 189.9
[M]- 358.14535 189.9
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.