CID 3067364

4-methyl 2-(dibenzo(b,e) 1,4-dioxepin-11-yl)ethyl 1-piperazine difumarate [french]

Structural Information

Molecular Formula
C20H24N2O2
SMILES
CN1CCN(CC1)CCC2C3=CC=CC=C3OC4=CC=CC=C4O2
InChI
InChI=1S/C20H24N2O2/c1-21-12-14-22(15-13-21)11-10-18-16-6-2-3-7-17(16)23-19-8-4-5-9-20(19)24-18/h2-9,18H,10-15H2,1H3
InChIKey
IMGZERXOCMTBJA-UHFFFAOYSA-N
Compound name
1-[2-(6H-benzo[b][1,4]benzodioxepin-6-yl)ethyl]-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.18378 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.19106 184.4
[M+Na]+ 347.17300 197.3
[M+NH4]+ 342.21760 192.2
[M+K]+ 363.14694 190.2
[M-H]- 323.17650 191.0
[M+Na-2H]- 345.15845 189.0
[M]+ 324.18323 188.4
[M]- 324.18433 188.4
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.