CID 656665

Tropisetron

Structural Information

Molecular Formula
C17H20N2O2
SMILES
CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C3=CNC4=CC=CC=C43
InChI
InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13?
InChIKey
ZNRGQMMCGHDTEI-FUNVUKJBSA-N
Compound name
[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 1H-indole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

1181
References

23404
Patents

284.15247 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.15975 166.6
[M+Na]+ 307.14169 173.8
[M-H]- 283.14519 169.8
[M+NH4]+ 302.18629 185.2
[M+K]+ 323.11563 168.7
[M+H-H2O]+ 267.14973 159.3
[M+HCOO]- 329.15067 182.0
[M+CH3COO]- 343.16632 177.1
[M+Na-2H]- 305.12714 167.4
[M]+ 284.15192 165.4
[M]- 284.15302 165.4
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.