CID 201196

Piperazine, 1-(3,4,5-trimethoxybenzoyl)-4-piperonyl-, hydrochloride

Structural Information

Molecular Formula
C22H26N2O6
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C22H26N2O6/c1-26-19-11-16(12-20(27-2)21(19)28-3)22(25)24-8-6-23(7-9-24)13-15-4-5-17-18(10-15)30-14-29-17/h4-5,10-12H,6-9,13-14H2,1-3H3
InChIKey
IIPBLFNQEXNBDV-UHFFFAOYSA-N
Compound name
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

414.17908 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.18636 198.5
[M+Na]+ 437.16830 210.9
[M+NH4]+ 432.21290 203.9
[M+K]+ 453.14224 207.7
[M-H]- 413.17180 204.6
[M+Na-2H]- 435.15375 201.8
[M]+ 414.17853 201.8
[M]- 414.17963 201.8
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.