CID 88953

Methoxyphenyl piperazinyl

Structural Information

Molecular Formula
C24H31N3O3
SMILES
COC1=CC=CC=C1N2CCN(CC2)CCC(=O)C3=CC=C(C=C3)N4CCOCC4
InChI
InChI=1S/C24H31N3O3/c1-29-24-5-3-2-4-22(24)27-14-12-25(13-15-27)11-10-23(28)20-6-8-21(9-7-20)26-16-18-30-19-17-26/h2-9H,10-19H2,1H3
InChIKey
DNLVXKJWDZQSKC-UHFFFAOYSA-N
Compound name
3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(4-morpholin-4-ylphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

92
Patents

409.23654 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.24382 203.1
[M+Na]+ 432.22576 216.3
[M+NH4]+ 427.27036 209.2
[M+K]+ 448.19970 208.6
[M-H]- 408.22926 210.4
[M+Na-2H]- 430.21121 210.5
[M]+ 409.23599 207.0
[M]- 409.23709 207.0
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.