CID 442151

Visnadine

Structural Information

Molecular Formula
C21H24O7
SMILES
CC[C@@H](C)C(=O)O[C@@H]1[C@@H](C2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C)OC(=O)C
InChI
InChI=1S/C21H24O7/c1-6-11(2)20(24)27-19-18(25-12(3)22)16-14(28-21(19,4)5)9-7-13-8-10-15(23)26-17(13)16/h7-11,18-19H,6H2,1-5H3/t11-,18-,19-/m1/s1
InChIKey
GVBNSPFBYXGREE-CXWAGAITSA-N
Compound name
[(9R,10R)-10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] (2R)-2-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

14
References

2817
Patents

388.1522 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.15948 187.6
[M+Na]+ 411.14142 195.4
[M-H]- 387.14492 194.3
[M+NH4]+ 406.18602 200.7
[M+K]+ 427.11536 196.7
[M+H-H2O]+ 371.14946 180.4
[M+HCOO]- 433.15040 201.5
[M+CH3COO]- 447.16605 223.6
[M+Na-2H]- 409.12687 190.4
[M]+ 388.15165 195.9
[M]- 388.15275 195.9
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