CID 14034812

Cerasidin

Structural Information

Molecular Formula
C19H20O6
SMILES
COC1=CC(=C(C=C1)/C=C/C(=O)C2=C(C=C(C=C2OC)OC)O)OC
InChI
InChI=1S/C19H20O6/c1-22-13-7-5-12(17(10-13)24-3)6-8-15(20)19-16(21)9-14(23-2)11-18(19)25-4/h5-11,21H,1-4H3/b8-6+
InChIKey
IAUDUEQNUVKNBT-SOFGYWHQSA-N
Compound name
(E)-3-(2,4-dimethoxyphenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
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 179.6
[M+Na]+ 367.11520 192.7
[M+NH4]+ 362.15980 184.9
[M+K]+ 383.08914 187.0
[M-H]- 343.11870 181.6
[M+Na-2H]- 365.10065 185.0
[M]+ 344.12543 181.9
[M]- 344.12653 181.9
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