CID 3051208

1,4-bis(1-(1,4-benzodioxan-2-yl)ethyl)piperazine

Structural Information

Molecular Formula
C24H30N2O4
SMILES
CC(C1COC2=CC=CC=C2O1)N3CCN(CC3)C(C)C4COC5=CC=CC=C5O4
InChI
InChI=1S/C24H30N2O4/c1-17(23-15-27-19-7-3-5-9-21(19)29-23)25-11-13-26(14-12-25)18(2)24-16-28-20-8-4-6-10-22(20)30-24/h3-10,17-18,23-24H,11-16H2,1-2H3
InChIKey
AOUCYIRFCPJEFG-UHFFFAOYSA-N
Compound name
1,4-bis[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.22055 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.22783 202.6
[M+Na]+ 433.20977 216.2
[M+NH4]+ 428.25437 209.9
[M+K]+ 449.18371 209.9
[M-H]- 409.21327 213.3
[M+Na-2H]- 431.19522 205.5
[M]+ 410.22000 207.7
[M]- 410.22110 207.7
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.