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]+ 393.206036 198.4
[M+Na]+ 415.187978 205.4
[M-H]- 391.191484 205.2
[M+NH4]+ 410.232583 210.0
[M+K]+ 431.161918 202.0
[M+H-H2O]+ 375.196020 189.7
[M+HCOO]- 437.196961 208.8
[M+CH3COO]- 451.212611 207.0
[M+Na-2H]- 413.173426 199.8
[M]+ 392.19821142 199.0
[M]- 392.19930858 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.