CID 200413

Brn 0585581

Structural Information

Molecular Formula
C24H33ClN2O3
SMILES
COC1=C(C=C(C=C1)OCCCCCCN2CCN(CC2)C3=CC=CC=C3Cl)OC
InChI
InChI=1S/C24H33ClN2O3/c1-28-23-12-11-20(19-24(23)29-2)30-18-8-4-3-7-13-26-14-16-27(17-15-26)22-10-6-5-9-21(22)25/h5-6,9-12,19H,3-4,7-8,13-18H2,1-2H3
InChIKey
RAPDXQPYCUAZRV-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)-4-[6-(3,4-dimethoxyphenoxy)hexyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.21796 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.22524 207.4
[M+Na]+ 455.20718 211.6
[M-H]- 431.21068 212.3
[M+NH4]+ 450.25178 214.7
[M+K]+ 471.18112 205.3
[M+H-H2O]+ 415.21522 195.3
[M+HCOO]- 477.21616 218.3
[M+CH3COO]- 491.23181 228.0
[M+Na-2H]- 453.19263 206.1
[M]+ 432.21741 211.6
[M]- 432.21851 211.6
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.