CID 978373

4-ethyl-8-methyl-7-[2-(naphthalen-2-yl)-2-oxoethoxy]-2h-chromen-2-one

Structural Information

Molecular Formula
C24H20O4
SMILES
CCC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)C3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C24H20O4/c1-3-16-13-23(26)28-24-15(2)22(11-10-20(16)24)27-14-21(25)19-9-8-17-6-4-5-7-18(17)12-19/h4-13H,3,14H2,1-2H3
InChIKey
YPCQWVZXFWGKET-UHFFFAOYSA-N
Compound name
4-ethyl-8-methyl-7-(2-naphthalen-2-yl-2-oxoethoxy)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.13617 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.14345 189.2
[M+Na]+ 395.12539 199.3
[M-H]- 371.12889 199.0
[M+NH4]+ 390.16999 202.0
[M+K]+ 411.09933 195.2
[M+H-H2O]+ 355.13343 179.3
[M+HCOO]- 417.13437 209.7
[M+CH3COO]- 431.15002 200.6
[M+Na-2H]- 393.11084 194.5
[M]+ 372.13562 196.3
[M]- 372.13672 196.3
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.