CID 3049180

Piperazine, 1,4-bis(2-(2-methyl-1,3-benzodioxol-2-yl)ethyl))-

Structural Information

Molecular Formula
C24H30N2O4
SMILES
CC1(OC2=CC=CC=C2O1)CCN3CCN(CC3)CCC4(OC5=CC=CC=C5O4)C
InChI
InChI=1S/C24H30N2O4/c1-23(27-19-7-3-4-8-20(19)28-23)11-13-25-15-17-26(18-16-25)14-12-24(2)29-21-9-5-6-10-22(21)30-24/h3-10H,11-18H2,1-2H3
InChIKey
YKOCULXCIBDOKX-UHFFFAOYSA-N
Compound name
1,4-bis[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.22055 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.227826 197.1
[M+Na]+ 433.209768 203.3
[M-H]- 409.213274 207.3
[M+NH4]+ 428.254373 208.3
[M+K]+ 449.183708 203.0
[M+H-H2O]+ 393.217810 188.3
[M+HCOO]- 455.218751 207.4
[M+CH3COO]- 469.234401 206.0
[M+Na-2H]- 431.195216 197.9
[M]+ 410.22000142 199.6
[M]- 410.22109858 199.6
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.