CID 42608025

Heteroflavanone c

Structural Information

Molecular Formula
C23H26O7
SMILES
CC(=CCC1=C2C(=C(C=C1O)O)C(=O)CC(O2)C3=C(C=C(C=C3OC)OC)OC)C
InChI
InChI=1S/C23H26O7/c1-12(2)6-7-14-15(24)10-16(25)21-17(26)11-20(30-23(14)21)22-18(28-4)8-13(27-3)9-19(22)29-5/h6,8-10,20,24-25H,7,11H2,1-5H3
InChIKey
LKUWYFZLCAUAGB-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-(2,4,6-trimethoxyphenyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

414.16785 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.175126 198.0
[M+Na]+ 437.157068 205.6
[M-H]- 413.160574 204.1
[M+NH4]+ 432.201673 207.4
[M+K]+ 453.131008 203.7
[M+H-H2O]+ 397.165110 189.6
[M+HCOO]- 459.166051 212.5
[M+CH3COO]- 473.181701 226.9
[M+Na-2H]- 435.142516 196.2
[M]+ 414.16730142 204.3
[M]- 414.16839858 204.3
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.