CID 2282672

7-[2-(naphthalen-2-yl)-2-oxoethoxy]-4-propyl-2h-chromen-2-one

Structural Information

Molecular Formula
C24H20O4
SMILES
CCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)C3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C24H20O4/c1-2-5-18-13-24(26)28-23-14-20(10-11-21(18)23)27-15-22(25)19-9-8-16-6-3-4-7-17(16)12-19/h3-4,6-14H,2,5,15H2,1H3
InChIKey
BKQBNXRWUIOIJG-UHFFFAOYSA-N
Compound name
7-(2-naphthalen-2-yl-2-oxoethoxy)-4-propylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.13617 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.14345 189.0
[M+Na]+ 395.12539 198.2
[M-H]- 371.12889 198.4
[M+NH4]+ 390.16999 201.5
[M+K]+ 411.09933 194.0
[M+H-H2O]+ 355.13343 178.9
[M+HCOO]- 417.13437 209.5
[M+CH3COO]- 431.15002 200.1
[M+Na-2H]- 393.11084 195.0
[M]+ 372.13562 195.6
[M]- 372.13672 195.6
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.