CID 1966730

6-hexyl-7-[(4-methoxybenzyl)oxy]-4-phenyl-2h-chromen-2-one

Structural Information

Molecular Formula
C29H30O4
SMILES
CCCCCCC1=CC2=C(C=C1OCC3=CC=C(C=C3)OC)OC(=O)C=C2C4=CC=CC=C4
InChI
InChI=1S/C29H30O4/c1-3-4-5-7-12-23-17-26-25(22-10-8-6-9-11-22)18-29(30)33-28(26)19-27(23)32-20-21-13-15-24(31-2)16-14-21/h6,8-11,13-19H,3-5,7,12,20H2,1-2H3
InChIKey
IXRBJCWCLGPXRI-UHFFFAOYSA-N
Compound name
6-hexyl-7-[(4-methoxyphenyl)methoxy]-4-phenylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.21442 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.22170 211.6
[M+Na]+ 465.20364 229.7
[M+NH4]+ 460.24824 219.5
[M+K]+ 481.17758 218.5
[M-H]- 441.20714 220.7
[M+Na-2H]- 463.18909 221.1
[M]+ 442.21387 217.2
[M]- 442.21497 217.2
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.