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]+ 355.201616 187.1
[M+Na]+ 377.183558 191.1
[M-H]- 353.187064 192.7
[M+NH4]+ 372.228163 196.2
[M+K]+ 393.157498 186.8
[M+H-H2O]+ 337.191600 175.4
[M+HCOO]- 399.192541 202.9
[M+CH3COO]- 413.208191 214.8
[M+Na-2H]- 375.169006 187.5
[M]+ 354.19379142 186.4
[M]- 354.19488858 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.