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]+ 443.221696 213.2
[M+Na]+ 465.203638 220.1
[M-H]- 441.207144 223.8
[M+NH4]+ 460.248243 221.7
[M+K]+ 481.177578 215.2
[M+H-H2O]+ 425.211680 201.3
[M+HCOO]- 487.212621 232.9
[M+CH3COO]- 501.228271 233.6
[M+Na-2H]- 463.189086 215.1
[M]+ 442.21387142 220.2
[M]- 442.21496858 220.2
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.