CID 5481966

Gancaonin p

Structural Information

Molecular Formula
C20H18O7
SMILES
CC(=CCC1=C(C2=C(C=C1O)OC(=C(C2=O)O)C3=CC(=C(C=C3)O)O)O)C
InChI
InChI=1S/C20H18O7/c1-9(2)3-5-11-13(22)8-15-16(17(11)24)18(25)19(26)20(27-15)10-4-6-12(21)14(23)7-10/h3-4,6-8,21-24,26H,5H2,1-2H3
InChIKey
OCIIFJFJVOTFTN-UHFFFAOYSA-N
Compound name
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-(3-methylbut-2-enyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

26
Patents

370.10526 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.11254 186.1
[M+Na]+ 393.09448 199.7
[M+NH4]+ 388.13908 190.4
[M+K]+ 409.06842 195.7
[M-H]- 369.09798 188.4
[M+Na-2H]- 391.07993 188.5
[M]+ 370.10471 188.5
[M]- 370.10581 188.5
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