CID 6447001

2-piperonyliden-6-morpholinomethyl-cyclohexanon [german]

Structural Information

Molecular Formula
C19H23NO4
SMILES
C1CC(C(=O)/C(=C/C2=CC3=C(C=C2)OCO3)/C1)CN4CCOCC4
InChI
InChI=1S/C19H23NO4/c21-19-15(10-14-4-5-17-18(11-14)24-13-23-17)2-1-3-16(19)12-20-6-8-22-9-7-20/h4-5,10-11,16H,1-3,6-9,12-13H2/b15-10+
InChIKey
WAZAVKPTHRLEBU-XNTDXEJSSA-N
Compound name
(2E)-2-(1,3-benzodioxol-5-ylmethylidene)-6-(morpholin-4-ylmethyl)cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

329.16272 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.17000 178.8
[M+Na]+ 352.15194 190.3
[M+NH4]+ 347.19654 186.3
[M+K]+ 368.12588 185.9
[M-H]- 328.15544 187.2
[M+Na-2H]- 350.13739 181.7
[M]+ 329.16217 182.6
[M]- 329.16327 182.6
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

patents stripe