CID 6441090

Dihydrowisanine

Structural Information

Molecular Formula
C18H23NO4
SMILES
COC1=CC2=C(C=C1CC/C=C/C(=O)N3CCCCC3)OCO2
InChI
InChI=1S/C18H23NO4/c1-21-15-12-17-16(22-13-23-17)11-14(15)7-3-4-8-18(20)19-9-5-2-6-10-19/h4,8,11-12H,2-3,5-7,9-10,13H2,1H3/b8-4+
InChIKey
AZNMXIXFMAWPME-XBXARRHUSA-N
Compound name
(E)-5-(6-methoxy-1,3-benzodioxol-5-yl)-1-piperidin-1-ylpent-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

317.16272 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.169996 176.2
[M+Na]+ 340.151938 180.4
[M-H]- 316.155444 182.2
[M+NH4]+ 335.196543 188.8
[M+K]+ 356.125878 179.1
[M+H-H2O]+ 300.159980 168.1
[M+HCOO]- 362.160921 190.9
[M+CH3COO]- 376.176571 204.4
[M+Na-2H]- 338.137386 177.2
[M]+ 317.16217142 176.4
[M]- 317.16326858 176.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.