CID 46189

Brn 0865002

Structural Information

Molecular Formula
C24H30N2O5
SMILES
CC(=O)C1=CC=CC=C1OCC(CN2CCN(CC2)C3=CC=CC=C3OC)OC(=O)C
InChI
InChI=1S/C24H30N2O5/c1-18(27)21-8-4-6-10-23(21)30-17-20(31-19(2)28)16-25-12-14-26(15-13-25)22-9-5-7-11-24(22)29-3/h4-11,20H,12-17H2,1-3H3
InChIKey
WDMDRQDYTJNZNG-UHFFFAOYSA-N
Compound name
[1-(2-acetylphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.21548 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.22276 203.4
[M+Na]+ 449.20470 205.3
[M-H]- 425.20820 208.6
[M+NH4]+ 444.24930 209.1
[M+K]+ 465.17864 202.5
[M+H-H2O]+ 409.21274 191.4
[M+HCOO]- 471.21368 216.8
[M+CH3COO]- 485.22933 228.3
[M+Na-2H]- 447.19015 200.5
[M]+ 426.21493 204.6
[M]- 426.21603 204.6
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.