CID 1631846

7-[2-(4-chlorophenyl)-2-oxoethoxy]-8-methyl-4-phenyl-2h-chromen-2-one

Structural Information

Molecular Formula
C24H17ClO4
SMILES
CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=CC=C3)OCC(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C24H17ClO4/c1-15-22(28-14-21(26)17-7-9-18(25)10-8-17)12-11-19-20(13-23(27)29-24(15)19)16-5-3-2-4-6-16/h2-13H,14H2,1H3
InChIKey
ULLBIFWTKJSDHM-UHFFFAOYSA-N
Compound name
7-[2-(4-chlorophenyl)-2-oxoethoxy]-8-methyl-4-phenylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.08154 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.08882 195.4
[M+Na]+ 427.07076 205.4
[M-H]- 403.07426 207.0
[M+NH4]+ 422.11536 206.4
[M+K]+ 443.04470 200.1
[M+H-H2O]+ 387.07880 185.6
[M+HCOO]- 449.07974 211.6
[M+CH3COO]- 463.09539 206.3
[M+Na-2H]- 425.05621 198.6
[M]+ 404.08099 202.4
[M]- 404.08209 202.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.