CID 129685429

2,3-dihydro-5,7-dihydroxy-3-(4-methoxyphenyl)-8-methyl-4h-1-benzopyran-4-one

Structural Information

Molecular Formula
C17H16O5
SMILES
CC1=C2C(=C(C=C1O)O)C(=O)C(CO2)C3=CC=C(C=C3)OC
InChI
InChI=1S/C17H16O5/c1-9-13(18)7-14(19)15-16(20)12(8-22-17(9)15)10-3-5-11(21-2)6-4-10/h3-7,12,18-19H,8H2,1-2H3
InChIKey
QDPNXXWOKFBCPC-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-3-(4-methoxyphenyl)-8-methyl-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.09976 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.107036 166.5
[M+Na]+ 323.088978 175.7
[M-H]- 299.092484 173.1
[M+NH4]+ 318.133583 180.6
[M+K]+ 339.062918 173.0
[M+H-H2O]+ 283.097020 159.2
[M+HCOO]- 345.097961 183.9
[M+CH3COO]- 359.113611 201.9
[M+Na-2H]- 321.074426 170.0
[M]+ 300.09921142 168.5
[M]- 300.10030858 168.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.