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]+ 371.112536 184.8
[M+Na]+ 393.094478 193.5
[M-H]- 369.097984 187.8
[M+NH4]+ 388.139083 193.8
[M+K]+ 409.068418 189.5
[M+H-H2O]+ 353.102520 177.3
[M+HCOO]- 415.103461 198.7
[M+CH3COO]- 429.119111 210.1
[M+Na-2H]- 391.079926 185.5
[M]+ 370.10471142 187.2
[M]- 370.10580858 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.