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]+ 387.15908 193.8
[M+Na]+ 409.14102 202.5
[M-H]- 385.14452 202.9
[M+NH4]+ 404.18562 205.6
[M+K]+ 425.11496 198.0
[M+H-H2O]+ 369.14906 183.4
[M+HCOO]- 431.15000 213.9
[M+CH3COO]- 445.16565 204.4
[M+Na-2H]- 407.12647 199.2
[M]+ 386.15125 200.6
[M]- 386.15235 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.