CID 157861

Brn 0577571

Structural Information

Molecular Formula
C21H27ClN2O3
SMILES
COC1=CC(=CC(=C1OC)OC)CCN2CCN(CC2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C21H27ClN2O3/c1-25-19-14-16(15-20(26-2)21(19)27-3)8-9-23-10-12-24(13-11-23)18-6-4-17(22)5-7-18/h4-7,14-15H,8-13H2,1-3H3
InChIKey
FPKJIROCXBLDFB-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.17102 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.17830 194.6
[M+Na]+ 413.16024 201.2
[M-H]- 389.16374 200.7
[M+NH4]+ 408.20484 204.1
[M+K]+ 429.13418 195.7
[M+H-H2O]+ 373.16828 183.5
[M+HCOO]- 435.16922 206.6
[M+CH3COO]- 449.18487 220.6
[M+Na-2H]- 411.14569 194.2
[M]+ 390.17047 198.4
[M]- 390.17157 198.4
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.