CID 701584

7-(2-oxo-2-phenylethoxy)-4-propyl-2h-chromen-2-one

Structural Information

Molecular Formula
C20H18O4
SMILES
CCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)C3=CC=CC=C3
InChI
InChI=1S/C20H18O4/c1-2-6-15-11-20(22)24-19-12-16(9-10-17(15)19)23-13-18(21)14-7-4-3-5-8-14/h3-5,7-12H,2,6,13H2,1H3
InChIKey
DNAYCAOJDZXWSU-UHFFFAOYSA-N
Compound name
7-phenacyloxy-4-propylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.1205 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.12778 174.4
[M+Na]+ 345.10972 182.5
[M-H]- 321.11322 182.8
[M+NH4]+ 340.15432 188.1
[M+K]+ 361.08366 179.5
[M+H-H2O]+ 305.11776 165.6
[M+HCOO]- 367.11870 195.6
[M+CH3COO]- 381.13435 208.9
[M+Na-2H]- 343.09517 179.7
[M]+ 322.11995 179.6
[M]- 322.12105 179.6
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.