CID 19734439

8-hydroxyondansetron

Structural Information

Molecular Formula
C18H19N3O2
SMILES
CC1=NC=CN1CC2CCC3=C(C2=O)C4=C(N3C)C(=CC=C4)O
InChI
InChI=1S/C18H19N3O2/c1-11-19-8-9-21(11)10-12-6-7-14-16(18(12)23)13-4-3-5-15(22)17(13)20(14)2/h3-5,8-9,12,22H,6-7,10H2,1-2H3
InChIKey
XVDKMEPUFIAQFH-UHFFFAOYSA-N
Compound name
8-hydroxy-9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

309.14774 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.15502 173.8
[M+Na]+ 332.13696 187.9
[M+NH4]+ 327.18156 181.4
[M+K]+ 348.11090 184.5
[M-H]- 308.14046 176.3
[M+Na-2H]- 330.12241 178.1
[M]+ 309.14719 176.5
[M]- 309.14829 176.5
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

patents stripe