CID 14542253

Lespedezaflavanone d

Structural Information

Molecular Formula
C25H28O6
SMILES
CC(=CCC1=CC(=C(C=C1O)O)C2CC(=O)C3=C(C=C(C(=C3O2)CC=C(C)C)O)O)C
InChI
InChI=1S/C25H28O6/c1-13(2)5-7-15-9-17(20(28)10-18(15)26)23-12-22(30)24-21(29)11-19(27)16(25(24)31-23)8-6-14(3)4/h5-6,9-11,23,26-29H,7-8,12H2,1-4H3
InChIKey
IPNPAENNCXAVSJ-UHFFFAOYSA-N
Compound name
2-[2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

424.1886 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.19588 203.9
[M+Na]+ 447.17782 210.0
[M-H]- 423.18132 207.0
[M+NH4]+ 442.22242 211.5
[M+K]+ 463.15176 205.5
[M+H-H2O]+ 407.18586 196.4
[M+HCOO]- 469.18680 213.7
[M+CH3COO]- 483.20245 226.2
[M+Na-2H]- 445.16327 198.8
[M]+ 424.18805 204.5
[M]- 424.18915 204.5
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