CID 489345

Chembl106446

Structural Information

Molecular Formula
C16H14O5
SMILES
C1C2C3=CC(=C(C=C3CC(O2)C4=CC(=C(C=C41)O)O)O)O
InChI
InChI=1S/C16H14O5/c17-11-1-7-3-15-10-6-14(20)12(18)2-8(10)4-16(21-15)9(7)5-13(11)19/h1-2,5-6,15-20H,3-4H2
InChIKey
LEIBYHQUQBIAHJ-UHFFFAOYSA-N
Compound name
17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene-4,5,12,13-tetrol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

286.08414 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.09142 159.2
[M+Na]+ 309.07336 168.0
[M-H]- 285.07686 160.1
[M+NH4]+ 304.11796 175.1
[M+K]+ 325.04730 164.2
[M+H-H2O]+ 269.08140 153.2
[M+HCOO]- 331.08234 169.8
[M+CH3COO]- 345.09799 169.6
[M+Na-2H]- 307.05881 166.3
[M]+ 286.08359 158.7
[M]- 286.08469 158.7
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

No patent data available for this compound.