CID 5281297

Albafuran a

Structural Information

Molecular Formula
C24H26O4
SMILES
CC(=CCC/C(=C/CC1=C(C=C(C=C1O)O)C2=CC3=C(O2)C=C(C=C3)O)/C)C
InChI
InChI=1S/C24H26O4/c1-15(2)5-4-6-16(3)7-10-20-21(12-19(26)13-22(20)27)24-11-17-8-9-18(25)14-23(17)28-24/h5,7-9,11-14,25-27H,4,6,10H2,1-3H3/b16-7+
InChIKey
KGOOVUKZICPAIZ-FRKPEAEDSA-N
Compound name
4-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-(6-hydroxy-1-benzofuran-2-yl)benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

39
Patents

378.1831 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.19038 194.2
[M+Na]+ 401.17232 207.0
[M+NH4]+ 396.21692 200.0
[M+K]+ 417.14626 202.2
[M-H]- 377.17582 197.7
[M+Na-2H]- 399.15777 197.4
[M]+ 378.18255 196.9
[M]- 378.18365 196.9
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