CID 3051208

67329-08-2

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]+ 411.227826 202.2
[M+Na]+ 433.209768 203.6
[M-H]- 409.213274 210.3
[M+NH4]+ 428.254373 204.7
[M+K]+ 449.183708 203.9
[M+H-H2O]+ 393.217810 189.5
[M+HCOO]- 455.218751 205.6
[M+CH3COO]- 469.234401 207.8
[M+Na-2H]- 431.195216 202.6
[M]+ 410.22000142 197.9
[M]- 410.22109858 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.