CID 6479343

Chembl4285855

Structural Information

Molecular Formula
C20H19NO5
SMILES
CN1C/C(=C\C2=CC(=C(C=C2)O)O)/C(=O)/C(=C/C3=CC(=C(C=C3)O)O)/C1
InChI
InChI=1S/C20H19NO5/c1-21-10-14(6-12-2-4-16(22)18(24)8-12)20(26)15(11-21)7-13-3-5-17(23)19(25)9-13/h2-9,22-25H,10-11H2,1H3/b14-6+,15-7+
InChIKey
IPLNOVUYLYOZJR-MKFXEVHTSA-N
Compound name
(3E,5E)-3,5-bis[(3,4-dihydroxyphenyl)methylidene]-1-methylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

353.1263 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.13358 184.1
[M+Na]+ 376.11552 191.2
[M-H]- 352.11902 187.7
[M+NH4]+ 371.16012 193.1
[M+K]+ 392.08946 184.3
[M+H-H2O]+ 336.12356 175.5
[M+HCOO]- 398.12450 197.4
[M+CH3COO]- 412.14015 206.6
[M+Na-2H]- 374.10097 181.9
[M]+ 353.12575 179.3
[M]- 353.12685 179.3
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.