CID 3066372

Piperazine, 1-(1-oxo-3-(1-piperidinyl)propyl)-4-(3,4,5-trimethoxybenzoyl)-

Structural Information

Molecular Formula
C22H33N3O5
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)C(=O)CCN3CCCCC3
InChI
InChI=1S/C22H33N3O5/c1-28-18-15-17(16-19(29-2)21(18)30-3)22(27)25-13-11-24(12-14-25)20(26)7-10-23-8-5-4-6-9-23/h15-16H,4-14H2,1-3H3
InChIKey
WOORJJRHPNESPF-UHFFFAOYSA-N
Compound name
3-piperidin-1-yl-1-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.24203 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.24931 203.2
[M+Na]+ 442.23125 204.4
[M-H]- 418.23475 206.6
[M+NH4]+ 437.27585 208.2
[M+K]+ 458.20519 201.8
[M+H-H2O]+ 402.23929 191.0
[M+HCOO]- 464.24023 212.6
[M+CH3COO]- 478.25588 226.2
[M+Na-2H]- 440.21670 198.9
[M]+ 419.24148 201.1
[M]- 419.24258 201.1
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.