CID 200398

Brn 0578166

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]+ 377.16264 189.8
[M+Na]+ 399.14458 196.0
[M-H]- 375.14808 195.7
[M+NH4]+ 394.18918 199.5
[M+K]+ 415.11852 190.5
[M+H-H2O]+ 359.15262 178.7
[M+HCOO]- 421.15356 202.2
[M+CH3COO]- 435.16921 216.4
[M+Na-2H]- 397.13003 190.7
[M]+ 376.15481 192.8
[M]- 376.15591 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.