CID 11278310

Aurantricholide b

Structural Information

Molecular Formula
C17H10O6
SMILES
C1=CC(=CC=C1C2=C3C(=CC4=CC(=C(C=C4O3)O)O)OC2=O)O
InChI
InChI=1S/C17H10O6/c18-10-3-1-8(2-4-10)15-16-14(23-17(15)21)6-9-5-11(19)12(20)7-13(9)22-16/h1-7,18-20H
InChIKey
QIZCPKIKTOBRLA-UHFFFAOYSA-N
Compound name
6,7-dihydroxy-3-(4-hydroxyphenyl)furo[3,2-b]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

310.04773 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.05501 164.5
[M+Na]+ 333.03695 177.3
[M-H]- 309.04045 173.1
[M+NH4]+ 328.08155 179.1
[M+K]+ 349.01089 174.7
[M+H-H2O]+ 293.04499 158.5
[M+HCOO]- 355.04593 184.3
[M+CH3COO]- 369.06158 177.9
[M+Na-2H]- 331.02240 171.3
[M]+ 310.04718 170.8
[M]- 310.04828 170.8
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

No patent data available for this compound.