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]+ 325.143446 175.5
[M+Na]+ 347.125388 183.7
[M-H]- 323.128894 183.7
[M+NH4]+ 342.169993 189.3
[M+K]+ 363.099328 180.7
[M+H-H2O]+ 307.133430 166.4
[M+HCOO]- 369.134371 197.5
[M+CH3COO]- 383.150021 208.7
[M+Na-2H]- 345.110836 181.9
[M]+ 324.13562142 182.0
[M]- 324.13671858 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.