CID 3071509

137460-57-2

Structural Information

Molecular Formula
C20H20O4
SMILES
CCCCCOC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=CC=C3
InChI
InChI=1S/C20H20O4/c1-2-3-7-12-22-16-10-11-17-18(13-16)23-14-19(20(17)21)24-15-8-5-4-6-9-15/h4-6,8-11,13-14H,2-3,7,12H2,1H3
InChIKey
RKECIGYPFAKWIX-UHFFFAOYSA-N
Compound name
7-pentoxy-3-phenoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.13617 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.14345 175.5
[M+Na]+ 347.12539 183.7
[M-H]- 323.12889 183.7
[M+NH4]+ 342.16999 189.3
[M+K]+ 363.09933 180.7
[M+H-H2O]+ 307.13343 166.4
[M+HCOO]- 369.13437 197.5
[M+CH3COO]- 383.15002 208.7
[M+Na-2H]- 345.11084 181.9
[M]+ 324.13562 182.0
[M]- 324.13672 182.0
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.