CID 978427

3-benzyl-7-((4-methoxybenzyl)oxy)-4-methyl-2h-chromen-2-one

Structural Information

Molecular Formula
C25H22O4
SMILES
CC1=C(C(=O)OC2=C1C=CC(=C2)OCC3=CC=C(C=C3)OC)CC4=CC=CC=C4
InChI
InChI=1S/C25H22O4/c1-17-22-13-12-21(28-16-19-8-10-20(27-2)11-9-19)15-24(22)29-25(26)23(17)14-18-6-4-3-5-7-18/h3-13,15H,14,16H2,1-2H3
InChIKey
QVQZWPVERHIVNL-UHFFFAOYSA-N
Compound name
3-benzyl-7-[(4-methoxyphenyl)methoxy]-4-methylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.1518 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.15908 194.7
[M+Na]+ 409.14102 203.5
[M-H]- 385.14452 206.3
[M+NH4]+ 404.18562 205.6
[M+K]+ 425.11496 199.4
[M+H-H2O]+ 369.14906 183.8
[M+HCOO]- 431.15000 215.9
[M+CH3COO]- 445.16565 205.6
[M+Na-2H]- 407.12647 198.9
[M]+ 386.15125 200.6
[M]- 386.15235 200.6
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.