CID 42607727

Schembl7197896

Structural Information

Molecular Formula
C16H16O7
SMILES
COC1=C(C=C(C=C1O)C(CC(=O)C2=C(C=C(C=C2)O)O)O)O
InChI
InChI=1S/C16H16O7/c1-23-16-14(21)4-8(5-15(16)22)11(18)7-13(20)10-3-2-9(17)6-12(10)19/h2-6,11,17-19,21-22H,7H2,1H3
InChIKey
GSFXRVSLBASDFL-UHFFFAOYSA-N
Compound name
3-(3,5-dihydroxy-4-methoxyphenyl)-1-(2,4-dihydroxyphenyl)-3-hydroxypropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

320.0896 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.09688 169.5
[M+Na]+ 343.07882 176.1
[M-H]- 319.08232 170.4
[M+NH4]+ 338.12342 180.3
[M+K]+ 359.05276 173.2
[M+H-H2O]+ 303.08686 162.6
[M+HCOO]- 365.08780 185.0
[M+CH3COO]- 379.10345 198.9
[M+Na-2H]- 341.06427 168.5
[M]+ 320.08905 170.2
[M]- 320.09015 170.2
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