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 213.2
[M+Na]+ 465.20364 220.1
[M-H]- 441.20714 223.8
[M+NH4]+ 460.24824 221.7
[M+K]+ 481.17758 215.2
[M+H-H2O]+ 425.21168 201.3
[M+HCOO]- 487.21262 232.9
[M+CH3COO]- 501.22827 233.6
[M+Na-2H]- 463.18909 215.1
[M]+ 442.21387 220.2
[M]- 442.21497 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.