CID 5495613

Nor-dentatin

Structural Information

Molecular Formula
C19H20O4
SMILES
CC1(C=CC2=C(O1)C(=C3C(=C2O)C=CC(=O)O3)C(C)(C)C=C)C
InChI
InChI=1S/C19H20O4/c1-6-18(2,3)14-16-11(7-8-13(20)22-16)15(21)12-9-10-19(4,5)23-17(12)14/h6-10,21H,1H2,2-5H3
InChIKey
WYMMNGQSPNWCIK-UHFFFAOYSA-N
Compound name
5-hydroxy-2,2-dimethyl-10-(2-methylbut-3-en-2-yl)pyrano[3,2-g]chromen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

3
Patents

312.13617 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.14345 171.3
[M+Na]+ 335.12539 182.3
[M-H]- 311.12889 177.8
[M+NH4]+ 330.16999 187.7
[M+K]+ 351.09933 180.3
[M+H-H2O]+ 295.13343 165.2
[M+HCOO]- 357.13437 186.8
[M+CH3COO]- 371.15002 207.7
[M+Na-2H]- 333.11084 179.5
[M]+ 312.13562 176.5
[M]- 312.13672 176.5
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.