CID 429922

Desacetylanguidine

Structural Information

Molecular Formula
C17H24O6
SMILES
CC1=CC2C(CC1)(C3(C(C(C(C34CO4)O2)O)O)C)COC(=O)C
InChI
InChI=1S/C17H24O6/c1-9-4-5-16(7-21-10(2)18)11(6-9)23-14-12(19)13(20)15(16,3)17(14)8-22-17/h6,11-14,19-20H,4-5,7-8H2,1-3H3
InChIKey
IRXDUBNENLKYTC-UHFFFAOYSA-N
Compound name
(10,11-dihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl)methyl acetate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

177
Patents

324.1573 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.16458 174.3
[M+Na]+ 347.14652 184.7
[M+NH4]+ 342.19112 186.1
[M+K]+ 363.12046 178.9
[M-H]- 323.15002 184.4
[M+Na-2H]- 345.13197 179.2
[M]+ 324.15675 180.2
[M]- 324.15785 180.2
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