CID 15380911

(r)-2',4',7-trihydroxy-3',8-diprenylisoflavan

Structural Information

Molecular Formula
C25H30O4
SMILES
CC(=CCC1=C(C=CC(=C1O)C2CC3=C(C(=C(C=C3)O)CC=C(C)C)OC2)O)C
InChI
InChI=1S/C25H30O4/c1-15(2)5-8-20-22(26)12-10-19(24(20)28)18-13-17-7-11-23(27)21(9-6-16(3)4)25(17)29-14-18/h5-7,10-12,18,26-28H,8-9,13-14H2,1-4H3
InChIKey
KZTSESJJLOEXBX-UHFFFAOYSA-N
Compound name
4-[7-hydroxy-8-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-3-yl]-2-(3-methylbut-2-enyl)benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

394.21442 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.22170 199.6
[M+Na]+ 417.20364 204.6
[M-H]- 393.20714 203.3
[M+NH4]+ 412.24824 208.9
[M+K]+ 433.17758 199.4
[M+H-H2O]+ 377.21168 191.8
[M+HCOO]- 439.21262 210.5
[M+CH3COO]- 453.22827 221.2
[M+Na-2H]- 415.18909 195.9
[M]+ 394.21387 198.8
[M]- 394.21497 198.8
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