CID 211936

23771-31-5

Structural Information

Molecular Formula
C21H26N2O3
SMILES
COC1=CC=C(C=C1)C(=O)CCN2CCN(CC2)C3=CC=CC=C3OC
InChI
InChI=1S/C21H26N2O3/c1-25-18-9-7-17(8-10-18)20(24)11-12-22-13-15-23(16-14-22)19-5-3-4-6-21(19)26-2/h3-10H,11-16H2,1-2H3
InChIKey
SPGOMUBILYCQFP-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
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 187.1
[M+Na]+ 377.18356 191.1
[M-H]- 353.18706 192.7
[M+NH4]+ 372.22816 196.2
[M+K]+ 393.15750 186.8
[M+H-H2O]+ 337.19160 175.4
[M+HCOO]- 399.19254 202.9
[M+CH3COO]- 413.20819 214.8
[M+Na-2H]- 375.16901 187.5
[M]+ 354.19379 186.4
[M]- 354.19489 186.4
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.