CID 24211

(-)-usnic acid

Structural Information

Molecular Formula
C18H16O7
SMILES
CC1=C(C(=C2C(=C1O)C3(C(=CC(=C(C3=O)C(=O)C)O)O2)C)C(=O)C)O
InChI
InChI=1S/C18H16O7/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24/h5,21-23H,1-4H3
InChIKey
WEYVVCKOOFYHRW-UHFFFAOYSA-N
Compound name
2,6-diacetyl-3,7,9-trihydroxy-8,9b-dimethyldibenzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

41
References

1917
Patents

344.0896 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.09688 172.6
[M+Na]+ 367.07882 183.8
[M-H]- 343.08232 176.5
[M+NH4]+ 362.12342 189.4
[M+K]+ 383.05276 181.7
[M+H-H2O]+ 327.08686 169.2
[M+HCOO]- 389.08780 187.0
[M+CH3COO]- 403.10345 211.7
[M+Na-2H]- 365.06427 173.1
[M]+ 344.08905 178.3
[M]- 344.09015 178.3
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