CID 4607594

477328-89-5

Structural Information

Molecular Formula
C21H26N2O3
SMILES
COC1=CC=C(C=C1)C(=O)CCN2CCN(CC2)C3=CC=C(C=C3)OC
InChI
InChI=1S/C21H26N2O3/c1-25-19-7-3-17(4-8-19)21(24)11-12-22-13-15-23(16-14-22)18-5-9-20(26-2)10-6-18/h3-10H,11-16H2,1-2H3
InChIKey
IZZJKJQJKVPUGS-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

354.19434 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.20162 187.4
[M+Na]+ 377.18356 201.0
[M+NH4]+ 372.22816 194.1
[M+K]+ 393.15750 193.2
[M-H]- 353.18706 192.1
[M+Na-2H]- 375.16901 195.3
[M]+ 354.19379 190.6
[M]- 354.19489 190.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.