CID 442770

5-deoxykievitone

Structural Information

Molecular Formula
C20H20O5
SMILES
CC(=CCC1=C(C=CC2=C1OCC(C2=O)C3=C(C=C(C=C3)O)O)O)C
InChI
InChI=1S/C20H20O5/c1-11(2)3-5-14-17(22)8-7-15-19(24)16(10-25-20(14)15)13-6-4-12(21)9-18(13)23/h3-4,6-9,16,21-23H,5,10H2,1-2H3
InChIKey
JIJYZALGIIQXKE-UHFFFAOYSA-N
Compound name
3-(2,4-dihydroxyphenyl)-7-hydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

12
Patents

340.13107 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.13835 179.7
[M+Na]+ 363.12029 187.1
[M-H]- 339.12379 184.3
[M+NH4]+ 358.16489 191.2
[M+K]+ 379.09423 183.0
[M+H-H2O]+ 323.12833 172.4
[M+HCOO]- 385.12927 193.6
[M+CH3COO]- 399.14492 208.4
[M+Na-2H]- 361.10574 180.0
[M]+ 340.13052 179.5
[M]- 340.13162 179.5
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