CID 5352005

Retusin

Structural Information

Molecular Formula
C19H18O7
SMILES
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)OC)OC
InChI
InChI=1S/C19H18O7/c1-22-11-8-12(20)16-15(9-11)26-18(19(25-4)17(16)21)10-5-6-13(23-2)14(7-10)24-3/h5-9,20H,1-4H3
InChIKey
HHGPYJLEJGNWJA-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

32
References

565
Patents

358.10526 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.11254 180.1
[M+Na]+ 381.09448 196.1
[M+NH4]+ 376.13908 186.4
[M+K]+ 397.06842 190.2
[M-H]- 357.09798 184.9
[M+Na-2H]- 379.07993 186.0
[M]+ 358.10471 183.9
[M]- 358.10581 183.9
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