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 203.0
[M+Na]+ 432.22576 203.9
[M-H]- 408.22926 209.5
[M+NH4]+ 427.27036 206.1
[M+K]+ 448.19970 199.6
[M+H-H2O]+ 392.23380 188.7
[M+HCOO]- 454.23474 212.2
[M+CH3COO]- 468.25039 208.3
[M+Na-2H]- 430.21121 201.4
[M]+ 409.23599 197.2
[M]- 409.23709 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