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]+ 318.17000 176.2
[M+Na]+ 340.15194 180.4
[M-H]- 316.15544 182.2
[M+NH4]+ 335.19654 188.8
[M+K]+ 356.12588 179.1
[M+H-H2O]+ 300.15998 168.1
[M+HCOO]- 362.16092 190.9
[M+CH3COO]- 376.17657 204.4
[M+Na-2H]- 338.13739 177.2
[M]+ 317.16217 176.4
[M]- 317.16327 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.