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

91
Patents

409.23654 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.243816 203.0
[M+Na]+ 432.225758 203.9
[M-H]- 408.229264 209.5
[M+NH4]+ 427.270363 206.1
[M+K]+ 448.199698 199.6
[M+H-H2O]+ 392.233800 188.7
[M+HCOO]- 454.234741 212.2
[M+CH3COO]- 468.250391 208.3
[M+Na-2H]- 430.211206 201.4
[M]+ 409.23599142 197.2
[M]- 409.23708858 197.2
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

patents stripe