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]+ 323.127776 174.4
[M+Na]+ 345.109718 182.5
[M-H]- 321.113224 182.8
[M+NH4]+ 340.154323 188.1
[M+K]+ 361.083658 179.5
[M+H-H2O]+ 305.117760 165.6
[M+HCOO]- 367.118701 195.6
[M+CH3COO]- 381.134351 208.9
[M+Na-2H]- 343.095166 179.7
[M]+ 322.11995142 179.6
[M]- 322.12104858 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.