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]+ 301.179826 170.3
[M+Na]+ 323.161768 176.6
[M-H]- 299.165274 176.8
[M+NH4]+ 318.206373 194.9
[M+K]+ 339.135708 171.8
[M+H-H2O]+ 283.169810 164.4
[M+HCOO]- 345.170751 180.8
[M+CH3COO]- 359.186401 180.7
[M+Na-2H]- 321.147216 170.7
[M]+ 300.17200142 165.2
[M]- 300.17309858 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.