CID 5315947

Clausenidin

Structural Information

Molecular Formula
C19H20O5
SMILES
CC1(CC(=O)C2=C(O1)C(=C3C(=C2O)C=CC(=O)O3)C(C)(C)C=C)C
InChI
InChI=1S/C19H20O5/c1-6-18(2,3)14-16-10(7-8-12(21)23-16)15(22)13-11(20)9-19(4,5)24-17(13)14/h6-8,22H,1,9H2,2-5H3
InChIKey
RDROOFQFFWIIDK-UHFFFAOYSA-N
Compound name
5-hydroxy-2,2-dimethyl-10-(2-methylbut-3-en-2-yl)-3H-pyrano[3,2-g]chromene-4,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

328.13107 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.13835 173.1
[M+Na]+ 351.12029 183.9
[M-H]- 327.12379 179.4
[M+NH4]+ 346.16489 188.8
[M+K]+ 367.09423 182.3
[M+H-H2O]+ 311.12833 167.2
[M+HCOO]- 373.12927 187.3
[M+CH3COO]- 387.14492 211.1
[M+Na-2H]- 349.10574 180.1
[M]+ 328.13052 178.1
[M]- 328.13162 178.1
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.