CID 44257390

Kievitol

Structural Information

Molecular Formula
C20H20O7
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/C20H20O7/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/h2-3,5-7,14,21-25H,4,8-9H2,1H3/b10-2+
InChIKey
VNIOZYSNZVSDPU-WTDSWWLTSA-N
Compound name
3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(E)-4-hydroxy-3-methylbut-2-enyl]-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

372.1209 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.12818 185.9
[M+Na]+ 395.11012 192.7
[M-H]- 371.11362 188.1
[M+NH4]+ 390.15472 194.7
[M+K]+ 411.08406 188.9
[M+H-H2O]+ 355.11816 178.7
[M+HCOO]- 417.11910 197.0
[M+CH3COO]- 431.13475 210.8
[M+Na-2H]- 393.09557 185.0
[M]+ 372.12035 185.6
[M]- 372.12145 185.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe