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

30
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 187.3
[M+Na]+ 383.14968 193.6
[M-H]- 359.15318 193.1
[M+NH4]+ 378.19428 197.7
[M+K]+ 399.12362 187.5
[M+H-H2O]+ 343.15772 176.3
[M+HCOO]- 405.15866 199.5
[M+CH3COO]- 419.17431 214.4
[M+Na-2H]- 381.13513 188.0
[M]+ 360.15991 188.8
[M]- 360.16101 188.8
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