CID 121484615

Fema no. 4834

Structural Information

Molecular Formula
C17H16O5
SMILES
CC1=CC(=C2[C@H](CC(=O)OC2=C1)C3=CC(=C(C=C3)O)OC)O
InChI
InChI=1S/C17H16O5/c1-9-5-13(19)17-11(8-16(20)22-15(17)6-9)10-3-4-12(18)14(7-10)21-2/h3-7,11,18-19H,8H2,1-2H3/t11-/m1/s1
InChIKey
MWXZMODKQTZDPU-LLVKDONJSA-N
Compound name
(4R)-5-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-7-methyl-3,4-dihydrochromen-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

17
Patents

300.09976 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.10704 166.8
[M+Na]+ 323.08898 181.5
[M+NH4]+ 318.13358 174.2
[M+K]+ 339.06292 175.6
[M-H]- 299.09248 171.7
[M+Na-2H]- 321.07443 172.1
[M]+ 300.09921 170.3
[M]- 300.10031 170.3
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

patents stripe