CID 1919187

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

Structural Information

Molecular Formula
C25H22O4
SMILES
CCCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)C3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C25H22O4/c1-2-3-6-19-14-25(27)29-24-15-21(11-12-22(19)24)28-16-23(26)20-10-9-17-7-4-5-8-18(17)13-20/h4-5,7-15H,2-3,6,16H2,1H3
InChIKey
WETQYCIEKUQNJM-UHFFFAOYSA-N
Compound name
4-butyl-7-(2-naphthalen-2-yl-2-oxoethoxy)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.1518 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.159076 193.8
[M+Na]+ 409.141018 202.5
[M-H]- 385.144524 202.9
[M+NH4]+ 404.185623 205.6
[M+K]+ 425.114958 198.0
[M+H-H2O]+ 369.149060 183.4
[M+HCOO]- 431.150001 213.9
[M+CH3COO]- 445.165651 204.4
[M+Na-2H]- 407.126466 199.2
[M]+ 386.15125142 200.6
[M]- 386.15234858 200.6
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.