CID 159891

Talatisamine

Structural Information

Molecular Formula
C24H39NO5
SMILES
CCN1CC2(CCC(C34C2CC(C31)C5(CC(C6CC4C5C6O)OC)O)OC)COC
InChI
InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3
InChIKey
BDCURAWBZJMFIK-UHFFFAOYSA-N
Compound name
11-ethyl-6,16-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

0
Patents

421.28284 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.29012 203.5
[M+Na]+ 444.27206 208.5
[M+NH4]+ 439.31666 215.6
[M+K]+ 460.24600 200.9
[M-H]- 420.27556 201.9
[M+Na-2H]- 442.25751 198.8
[M]+ 421.28229 203.9
[M]- 421.28339 203.9
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

No patent data available for this compound.