CID 101632079

7-hydroxytropisetron

Structural Information

Molecular Formula
C17H20N2O3
SMILES
CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C3=CNC4=C3C=CC=C4O
InChI
InChI=1S/C17H20N2O3/c1-19-10-5-6-11(19)8-12(7-10)22-17(21)14-9-18-16-13(14)3-2-4-15(16)20/h2-4,9-12,18,20H,5-8H2,1H3/t10-,11+,12?
InChIKey
STOKQNQZWJQBTA-FOSCPWQOSA-N
Compound name
[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 7-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 177.0
[M-H]- 299.14012 171.9
[M+NH4]+ 318.18122 187.1
[M+K]+ 339.11056 171.9
[M+H-H2O]+ 283.14466 163.0
[M+HCOO]- 345.14560 183.7
[M+CH3COO]- 359.16125 179.7
[M+Na-2H]- 321.12207 169.6
[M]+ 300.14685 168.6
[M]- 300.14795 168.6
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.