CID 6442392

Kanakugiol

Structural Information

Molecular Formula
C19H20O6
SMILES
COC1=C(C(=C(C(=C1C(=O)/C=C/C2=CC=CC=C2)O)OC)OC)OC
InChI
InChI=1S/C19H20O6/c1-22-16-14(13(20)11-10-12-8-6-5-7-9-12)15(21)17(23-2)19(25-4)18(16)24-3/h5-11,21H,1-4H3/b11-10+
InChIKey
LETBAZLAGJPEIM-ZHACJKMWSA-N
Compound name
(E)-1-(2-hydroxy-3,4,5,6-tetramethoxyphenyl)-3-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

344.12598 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.13326 177.7
[M+Na]+ 367.11520 185.8
[M-H]- 343.11870 183.7
[M+NH4]+ 362.15980 190.7
[M+K]+ 383.08914 183.4
[M+H-H2O]+ 327.12324 169.5
[M+HCOO]- 389.12418 199.3
[M+CH3COO]- 403.13983 211.7
[M+Na-2H]- 365.10065 178.2
[M]+ 344.12543 185.1
[M]- 344.12653 185.1
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

patents stripe