CID 2277186

3-benzyl-7-[2-(4-methoxyphenyl)-2-oxoethoxy]-4,8-dimethyl-2h-chromen-2-one

Structural Information

Molecular Formula
C27H24O5
SMILES
CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC(=O)C3=CC=C(C=C3)OC)CC4=CC=CC=C4
InChI
InChI=1S/C27H24O5/c1-17-22-13-14-25(31-16-24(28)20-9-11-21(30-3)12-10-20)18(2)26(22)32-27(29)23(17)15-19-7-5-4-6-8-19/h4-14H,15-16H2,1-3H3
InChIKey
IZDUPQBWUNQGRZ-UHFFFAOYSA-N
Compound name
3-benzyl-7-[2-(4-methoxyphenyl)-2-oxoethoxy]-4,8-dimethylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.16238 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.16966 205.7
[M+Na]+ 451.15160 214.1
[M-H]- 427.15510 217.3
[M+NH4]+ 446.19620 214.8
[M+K]+ 467.12554 210.6
[M+H-H2O]+ 411.15964 194.4
[M+HCOO]- 473.16058 225.4
[M+CH3COO]- 487.17623 231.7
[M+Na-2H]- 449.13705 207.1
[M]+ 428.16183 212.7
[M]- 428.16293 212.7
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.