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]+ 373.143446 189.0
[M+Na]+ 395.125388 198.2
[M-H]- 371.128894 198.4
[M+NH4]+ 390.169993 201.5
[M+K]+ 411.099328 194.0
[M+H-H2O]+ 355.133430 178.9
[M+HCOO]- 417.134371 209.5
[M+CH3COO]- 431.150021 200.1
[M+Na-2H]- 393.110836 195.0
[M]+ 372.13562142 195.6
[M]- 372.13671858 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.