CID 101632080

6-hydroxytropisetron

Structural Information

Molecular Formula
C17H20N2O3
SMILES
CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C3=CNC4=C3C=CC(=C4)O
InChI
InChI=1S/C17H20N2O3/c1-19-10-2-3-11(19)7-13(6-10)22-17(21)15-9-18-16-8-12(20)4-5-14(15)16/h4-5,8-11,13,18,20H,2-3,6-7H2,1H3/t10-,11+,13?
InChIKey
DXYYGLSZCCPMDV-QYJAPNMZSA-N
Compound name
[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 6-hydroxy-1H-indole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

300.1474 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.15468 169.6
[M+Na]+ 323.13662 180.1
[M+NH4]+ 318.18122 177.2
[M+K]+ 339.11056 178.2
[M-H]- 299.14012 170.3
[M+Na-2H]- 321.12207 170.9
[M]+ 300.14685 171.0
[M]- 300.14795 171.0
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.