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 202.2
[M+Na]+ 433.20977 203.6
[M-H]- 409.21327 210.3
[M+NH4]+ 428.25437 204.7
[M+K]+ 449.18371 203.9
[M+H-H2O]+ 393.21781 189.5
[M+HCOO]- 455.21875 205.6
[M+CH3COO]- 469.23440 207.8
[M+Na-2H]- 431.19522 202.6
[M]+ 410.22000 197.9
[M]- 410.22110 197.9
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.