CID 50676

Brn 0545636

Structural Information

Molecular Formula
C16H24N2O2
SMILES
CCN1CCN(CC1)C(C)C2COC3=CC=CC=C3O2
InChI
InChI=1S/C16H24N2O2/c1-3-17-8-10-18(11-9-17)13(2)16-12-19-14-6-4-5-7-15(14)20-16/h4-7,13,16H,3,8-12H2,1-2H3
InChIKey
WZDXBGFDEVNOSN-UHFFFAOYSA-N
Compound name
1-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-4-ethylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.18378 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.19106 167.9
[M+Na]+ 299.17300 180.6
[M+NH4]+ 294.21760 176.0
[M+K]+ 315.14694 174.1
[M-H]- 275.17650 174.0
[M+Na-2H]- 297.15845 172.2
[M]+ 276.18323 171.4
[M]- 276.18433 171.4
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.