CID 42607799

7-prenyloxy-8-c-(3-hydroxy-3-methyl-trans-buten-1-yl)flavanone

Structural Information

Molecular Formula
C25H28O4
SMILES
CC(=CCOC1=C(C2=C(C=C1)C(=O)CC(O2)C3=CC=CC=C3)/C=C/C(C)(C)O)C
InChI
InChI=1S/C25H28O4/c1-17(2)13-15-28-22-11-10-19-21(26)16-23(18-8-6-5-7-9-18)29-24(19)20(22)12-14-25(3,4)27/h5-14,23,27H,15-16H2,1-4H3/b14-12+
InChIKey
ZVDGUVHERNKBSI-WYMLVPIESA-N
Compound name
8-[(E)-3-hydroxy-3-methylbut-1-enyl]-7-(3-methylbut-2-enoxy)-2-phenyl-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.19876 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.20604 197.4
[M+Na]+ 415.18798 202.5
[M-H]- 391.19148 203.3
[M+NH4]+ 410.23258 207.7
[M+K]+ 431.16192 198.1
[M+H-H2O]+ 375.19602 189.1
[M+HCOO]- 437.19696 211.1
[M+CH3COO]- 451.21261 221.7
[M+Na-2H]- 413.17343 198.2
[M]+ 392.19821 198.8
[M]- 392.19931 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.