CID 253300

4-methoxybenzyl 2,4,6-trihydroxyphenyl ketone

Structural Information

Molecular Formula
C15H14O5
SMILES
COC1=CC=C(C=C1)CC(=O)C2=C(C=C(C=C2O)O)O
InChI
InChI=1S/C15H14O5/c1-20-11-4-2-9(3-5-11)6-12(17)15-13(18)7-10(16)8-14(15)19/h2-5,7-8,16,18-19H,6H2,1H3
InChIKey
KYODHQXYXKDRTF-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

172
Patents

274.08414 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.091416 159.2
[M+Na]+ 297.073358 167.2
[M-H]- 273.076864 162.8
[M+NH4]+ 292.117963 173.5
[M+K]+ 313.047298 163.8
[M+H-H2O]+ 257.081400 152.4
[M+HCOO]- 319.082341 178.9
[M+CH3COO]- 333.097991 193.1
[M+Na-2H]- 295.058806 161.4
[M]+ 274.08359142 160.6
[M]- 274.08468858 160.6
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

patents stripe