CID 44257318

2,3-dehydrokievitol

Structural Information

Molecular Formula
C20H18O7
SMILES
C/C(=C\CC1=C2C(=C(C=C1O)O)C(=O)C(=CO2)C3=C(C=C(C=C3)O)O)/CO
InChI
InChI=1S/C20H18O7/c1-10(8-21)2-4-13-16(24)7-17(25)18-19(26)14(9-27-20(13)18)12-5-3-11(22)6-15(12)23/h2-3,5-7,9,21-25H,4,8H2,1H3/b10-2+
InChIKey
UFCGXNZEVGKUQA-WTDSWWLTSA-N
Compound name
3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(E)-4-hydroxy-3-methylbut-2-enyl]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

370.10526 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.11254 185.9
[M+Na]+ 393.09448 199.1
[M+NH4]+ 388.13908 190.2
[M+K]+ 409.06842 194.9
[M-H]- 369.09798 188.1
[M+Na-2H]- 391.07993 188.5
[M]+ 370.10471 188.2
[M]- 370.10581 188.2
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

No patent data available for this compound.