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
3
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 184.8
[M+Na]+ 393.09448 193.5
[M-H]- 369.09798 187.8
[M+NH4]+ 388.13908 193.8
[M+K]+ 409.06842 189.5
[M+H-H2O]+ 353.10252 177.3
[M+HCOO]- 415.10346 198.7
[M+CH3COO]- 429.11911 210.1
[M+Na-2H]- 391.07993 185.5
[M]+ 370.10471 187.2
[M]- 370.10581 187.2
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.