CID 200398

Piperazine, 1-(o-chlorophenyl)-4-(2-(3,4-dimethoxyphenoxy)ethyl)-

Structural Information

Molecular Formula
C20H25ClN2O3
SMILES
COC1=C(C=C(C=C1)OCCN2CCN(CC2)C3=CC=CC=C3Cl)OC
InChI
InChI=1S/C20H25ClN2O3/c1-24-19-8-7-16(15-20(19)25-2)26-14-13-22-9-11-23(12-10-22)18-6-4-3-5-17(18)21/h3-8,15H,9-14H2,1-2H3
InChIKey
ZAYBRXAJTAAHRE-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)-4-[2-(3,4-dimethoxyphenoxy)ethyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.15536 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.162636 189.8
[M+Na]+ 399.144578 196.0
[M-H]- 375.148084 195.7
[M+NH4]+ 394.189183 199.5
[M+K]+ 415.118518 190.5
[M+H-H2O]+ 359.152620 178.7
[M+HCOO]- 421.153561 202.2
[M+CH3COO]- 435.169211 216.4
[M+Na-2H]- 397.130026 190.7
[M]+ 376.15481142 192.8
[M]- 376.15590858 192.8
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

No patent data available for this compound.