CID 6434971

Alkaloid 307a from dendrobates

Structural Information

Molecular Formula
C19H33NO2
SMILES
CC[C@@H](/C(=C/CC(C)/C=C\1/C[C@](C2CCCN2C1)(C)O)/C)O
InChI
InChI=1S/C19H33NO2/c1-5-17(21)15(3)9-8-14(2)11-16-12-19(4,22)18-7-6-10-20(18)13-16/h9,11,14,17-18,21-22H,5-8,10,12-13H2,1-4H3/b15-9+,16-11-/t14?,17-,18?,19-/m0/s1
InChIKey
CUBVJLHFQCEJGM-BQAOJKSRSA-N
Compound name
(6Z,8S)-6-[(E,6S)-6-hydroxy-2,5-dimethyloct-4-enylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

13
Patents

307.25113 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.25841 182.0
[M+Na]+ 330.24035 184.2
[M-H]- 306.24385 180.4
[M+NH4]+ 325.28495 198.9
[M+K]+ 346.21429 179.8
[M+H-H2O]+ 290.24839 176.6
[M+HCOO]- 352.24933 191.4
[M+CH3COO]- 366.26498 203.4
[M+Na-2H]- 328.22580 177.0
[M]+ 307.25058 176.5
[M]- 307.25168 176.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.