CID 480861

4'-o-prenylglabridin

Structural Information

Molecular Formula
C25H28O4
SMILES
CC(=CCOC1=CC(=C(C=C1)[C@H]2CC3=C(C4=C(C=C3)OC(C=C4)(C)C)OC2)O)C
InChI
InChI=1S/C25H28O4/c1-16(2)10-12-27-19-6-7-20(22(26)14-19)18-13-17-5-8-23-21(24(17)28-15-18)9-11-25(3,4)29-23/h5-11,14,18,26H,12-13,15H2,1-4H3/t18-/m0/s1
InChIKey
IYXPSXBZRUGMFQ-SFHVURJKSA-N
Compound name
2-[(3R)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl]-5-(3-methylbut-2-enoxy)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

392.19876 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.20604 198.0
[M+Na]+ 415.18798 204.6
[M-H]- 391.19148 205.8
[M+NH4]+ 410.23258 210.0
[M+K]+ 431.16192 201.8
[M+H-H2O]+ 375.19602 188.7
[M+HCOO]- 437.19696 210.0
[M+CH3COO]- 451.21261 206.9
[M+Na-2H]- 413.17343 200.4
[M]+ 392.19821 199.8
[M]- 392.19931 199.8
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

No patent data available for this compound.