CID 15228660

(s)-8-prenylphaseollinisoflavan

Structural Information

Molecular Formula
C25H28O4
SMILES
CC(=CCC1=C(C=CC2=C1OCC(C2)C3=C(C4=C(C=C3)OC(C=C4)(C)C)O)O)C
InChI
InChI=1S/C25H28O4/c1-15(2)5-7-19-21(26)9-6-16-13-17(14-28-24(16)19)18-8-10-22-20(23(18)27)11-12-25(3,4)29-22/h5-6,8-12,17,26-27H,7,13-14H2,1-4H3
InChIKey
PPYSNAHBRHGTLI-UHFFFAOYSA-N
Compound name
6-[7-hydroxy-8-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-3-yl]-2,2-dimethylchromen-5-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

392.19876 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.20604 198.4
[M+Na]+ 415.18798 205.4
[M-H]- 391.19148 205.2
[M+NH4]+ 410.23258 210.0
[M+K]+ 431.16192 202.0
[M+H-H2O]+ 375.19602 189.7
[M+HCOO]- 437.19696 208.8
[M+CH3COO]- 451.21261 207.0
[M+Na-2H]- 413.17343 199.8
[M]+ 392.19821 199.0
[M]- 392.19931 199.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.