CID 5320206

Nordentatin

Structural Information

Molecular Formula
C19H20O4
SMILES
CC1(C=CC2=C(O1)C3=C(C(=C2O)C(C)(C)C=C)OC(=O)C=C3)C
InChI
InChI=1S/C19H20O4/c1-6-18(2,3)14-15(21)11-9-10-19(4,5)23-16(11)12-7-8-13(20)22-17(12)14/h6-10,21H,1H2,2-5H3
InChIKey
FREXEHTVBRSRGJ-UHFFFAOYSA-N
Compound name
5-hydroxy-2,2-dimethyl-6-(2-methylbut-3-en-2-yl)pyrano[2,3-h]chromen-8-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

1
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 170.7
[M+Na]+ 335.12539 185.8
[M+NH4]+ 330.16999 179.8
[M+K]+ 351.09933 177.8
[M-H]- 311.12889 175.4
[M+Na-2H]- 333.11084 176.0
[M]+ 312.13562 174.7
[M]- 312.13672 174.7
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