CID 6444443

4-piperidinone, 3,5-bis(1,3-benzodioxol-5-ylmethylene)-1-methyl-

Structural Information

Molecular Formula
C22H19NO5
SMILES
CN1C/C(=C\C2=CC3=C(C=C2)OCO3)/C(=O)/C(=C\C4=CC5=C(C=C4)OCO5)/C1
InChI
InChI=1S/C22H19NO5/c1-23-10-16(6-14-2-4-18-20(8-14)27-12-25-18)22(24)17(11-23)7-15-3-5-19-21(9-15)28-13-26-19/h2-9H,10-13H2,1H3/b16-6-,17-7+
InChIKey
ZZPIUIDYNOMUQX-JTSIYALXSA-N
Compound name
(3Z,5E)-3,5-bis(1,3-benzodioxol-5-ylmethylidene)-1-methylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

377.1263 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.13358 186.7
[M+Na]+ 400.11552 200.1
[M+NH4]+ 395.16012 193.9
[M+K]+ 416.08946 197.9
[M-H]- 376.11902 196.4
[M+Na-2H]- 398.10097 188.6
[M]+ 377.12575 191.4
[M]- 377.12685 191.4
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.