CID 15754992

6563-83-3

Structural Information

Molecular Formula
C19H24O3
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C[C@@H]4C5=CC(=O)CC[C@]35CO4
InChI
InChI=1S/C19H24O3/c1-18-6-5-14-12(13(18)2-3-17(18)21)9-16-15-8-11(20)4-7-19(14,15)10-22-16/h8,12-14,16H,2-7,9-10H2,1H3/t12-,13-,14-,16+,18-,19-/m0/s1
InChIKey
ABDBICZRDFSYAS-ZEHJPDPISA-N
Compound name
(1S,2S,5S,9S,10R,12R)-5-methyl-19-oxapentacyclo[10.5.2.01,13.02,10.05,9]nonadec-13-ene-6,15-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

0
Patents

300.17255 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.17983 170.3
[M+Na]+ 323.16177 176.6
[M-H]- 299.16527 176.8
[M+NH4]+ 318.20637 194.9
[M+K]+ 339.13571 171.8
[M+H-H2O]+ 283.16981 164.4
[M+HCOO]- 345.17075 180.8
[M+CH3COO]- 359.18640 180.7
[M+Na-2H]- 321.14722 170.7
[M]+ 300.17200 165.2
[M]- 300.17310 165.2
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

No patent data available for this compound.