CID 15700432

Ondansetron 8-sulfate

Structural Information

Molecular Formula
C18H19N3O5S
SMILES
CC1=NC=CN1CC2CCC3=C(C2=O)C4=C(N3C)C(=CC=C4)OS(=O)(=O)O
InChI
InChI=1S/C18H19N3O5S/c1-11-19-8-9-21(11)10-12-6-7-14-16(18(12)22)13-4-3-5-15(17(13)20(14)2)26-27(23,24)25/h3-5,8-9,12H,6-7,10H2,1-2H3,(H,23,24,25)
InChIKey
FKMUSAHZDJNPJY-UHFFFAOYSA-N
Compound name
[9-methyl-6-[(2-methylimidazol-1-yl)methyl]-5-oxo-7,8-dihydro-6H-carbazol-1-yl] hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.10455 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.11183 190.5
[M+Na]+ 412.09377 202.3
[M+NH4]+ 407.13837 195.9
[M+K]+ 428.06771 199.3
[M-H]- 388.09727 190.8
[M+Na-2H]- 410.07922 192.9
[M]+ 389.10400 192.5
[M]- 389.10510 192.5
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.