CID 71066

Piperazine, 1-(m-chlorophenyl)-4-(3,4-dimethoxyphenethyl)-

Structural Information

Molecular Formula
C20H25ClN2O2
SMILES
COC1=C(C=C(C=C1)CCN2CCN(CC2)C3=CC(=CC=C3)Cl)OC
InChI
InChI=1S/C20H25ClN2O2/c1-24-19-7-6-16(14-20(19)25-2)8-9-22-10-12-23(13-11-22)18-5-3-4-17(21)15-18/h3-7,14-15H,8-13H2,1-2H3
InChIKey
RSXQCTKWWMNAOI-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

360.16046 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.16774 187.4
[M+Na]+ 383.14968 203.3
[M+NH4]+ 378.19428 195.5
[M+K]+ 399.12362 193.6
[M-H]- 359.15318 193.2
[M+Na-2H]- 381.13513 196.3
[M]+ 360.15991 191.8
[M]- 360.16101 191.8
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

patents stripe