CID 160803

Maesopsin

Structural Information

Molecular Formula
C15H12O6
SMILES
C1=CC(=CC=C1CC2(C(=O)C3=C(C=C(C=C3O2)O)O)O)O
InChI
InChI=1S/C15H12O6/c16-9-3-1-8(2-4-9)7-15(20)14(19)13-11(18)5-10(17)6-12(13)21-15/h1-6,16-18,20H,7H2
InChIKey
LOFYFDPXORJJEE-UHFFFAOYSA-N
Compound name
2,4,6-trihydroxy-2-[(4-hydroxyphenyl)methyl]-1-benzofuran-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

23
Patents

288.0634 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.07068 160.2
[M+Na]+ 311.05262 170.3
[M-H]- 287.05612 164.9
[M+NH4]+ 306.09722 177.1
[M+K]+ 327.02656 166.9
[M+H-H2O]+ 271.06066 155.4
[M+HCOO]- 333.06160 177.7
[M+CH3COO]- 347.07725 191.4
[M+Na-2H]- 309.03807 164.8
[M]+ 288.06285 161.8
[M]- 288.06395 161.8
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