CID 42607879

5-hydroxy-7-o-nerylflavanone

Structural Information

Molecular Formula
C25H28O4
SMILES
CC(=CCC/C(=C\COC1=CC(=C2C(=O)CC(OC2=C1)C3=CC=CC=C3)O)/C)C
InChI
InChI=1S/C25H28O4/c1-17(2)8-7-9-18(3)12-13-28-20-14-21(26)25-22(27)16-23(29-24(25)15-20)19-10-5-4-6-11-19/h4-6,8,10-12,14-15,23,26H,7,9,13,16H2,1-3H3/b18-12-
InChIKey
QLOMWRUHQCNTGI-PDGQHHTCSA-N
Compound name
7-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-5-hydroxy-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

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.20604 198.0
[M+Na]+ 415.18798 202.4
[M-H]- 391.19148 203.7
[M+NH4]+ 410.23258 208.1
[M+K]+ 431.16192 197.9
[M+H-H2O]+ 375.19602 189.1
[M+HCOO]- 437.19696 212.2
[M+CH3COO]- 451.21261 222.2
[M+Na-2H]- 413.17343 196.5
[M]+ 392.19821 199.2
[M]- 392.19931 199.2
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.