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 200.7
[M+Na]+ 444.27206 204.5
[M-H]- 420.27556 199.0
[M+NH4]+ 439.31666 222.8
[M+K]+ 460.24600 198.6
[M+H-H2O]+ 404.28010 193.5
[M+HCOO]- 466.28104 200.5
[M+CH3COO]- 480.29669 206.2
[M+Na-2H]- 442.25751 199.1
[M]+ 421.28229 200.6
[M]- 421.28339 200.6
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.