CID 9819315

2',7-dihydroxy-4'-methoxy-8-prenylflavan

Structural Information

Molecular Formula
C21H24O4
SMILES
CC(=CCC1=C(C=CC2=C1OC(CC2)C3=C(C=C(C=C3)OC)O)O)C
InChI
InChI=1S/C21H24O4/c1-13(2)4-8-17-18(22)10-5-14-6-11-20(25-21(14)17)16-9-7-15(24-3)12-19(16)23/h4-5,7,9-10,12,20,22-23H,6,8,11H2,1-3H3
InChIKey
LCGZWKGCXCRMAL-UHFFFAOYSA-N
Compound name
2-(2-hydroxy-4-methoxyphenyl)-8-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

340.16745 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.17473 182.4
[M+Na]+ 363.15667 188.8
[M-H]- 339.16017 187.8
[M+NH4]+ 358.20127 194.5
[M+K]+ 379.13061 185.0
[M+H-H2O]+ 323.16471 174.5
[M+HCOO]- 385.16565 197.2
[M+CH3COO]- 399.18130 210.5
[M+Na-2H]- 361.14212 183.1
[M]+ 340.16690 183.0
[M]- 340.16800 183.0
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