CID 54686606

4,7-dihydroxy-3-[4-(2-methoxyphenyl)butyl]-2h-chromen-2-one

Structural Information

Molecular Formula
C20H20O5
SMILES
COC1=CC=CC=C1CCCCC2=C(C3=C(C=C(C=C3)O)OC2=O)O
InChI
InChI=1S/C20H20O5/c1-24-17-9-5-3-7-13(17)6-2-4-8-16-19(22)15-11-10-14(21)12-18(15)25-20(16)23/h3,5,7,9-12,21-22H,2,4,6,8H2,1H3
InChIKey
DPYHGUIDBOZDPO-UHFFFAOYSA-N
Compound name
4,7-dihydroxy-3-[4-(2-methoxyphenyl)butyl]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

14
Patents

340.13107 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.13835 179.0
[M+Na]+ 363.12029 187.9
[M-H]- 339.12379 185.3
[M+NH4]+ 358.16489 191.2
[M+K]+ 379.09423 184.2
[M+H-H2O]+ 323.12833 170.6
[M+HCOO]- 385.12927 198.1
[M+CH3COO]- 399.14492 208.8
[M+Na-2H]- 361.10574 183.3
[M]+ 340.13052 184.3
[M]- 340.13162 184.3
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.