CID 42608039

Euchrestaflavanone c

Structural Information

Molecular Formula
C25H26O6
SMILES
CC(=CCC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=C(C=C4C(=C3)C=CC(O4)(C)C)O)C
InChI
InChI=1S/C25H26O6/c1-13(2)5-6-15-17(26)10-19(28)23-20(29)12-22(30-24(15)23)16-9-14-7-8-25(3,4)31-21(14)11-18(16)27/h5,7-11,22,26-28H,6,12H2,1-4H3
InChIKey
WUIDVBXGRNCTFU-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-2-(7-hydroxy-2,2-dimethylchromen-6-yl)-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

422.17294 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.18022 203.3
[M+Na]+ 445.16216 211.4
[M-H]- 421.16566 209.5
[M+NH4]+ 440.20676 213.2
[M+K]+ 461.13610 208.7
[M+H-H2O]+ 405.17020 195.1
[M+HCOO]- 467.17114 212.5
[M+CH3COO]- 481.18679 227.1
[M+Na-2H]- 443.14761 203.6
[M]+ 422.17239 205.4
[M]- 422.17349 205.4
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