CID 20152440

6-hydroxy ondansetron

Structural Information

Molecular Formula
C18H19N3O2
SMILES
CC1=NC=CN1CC2CCC3=C(C2=O)C4=C(N3C)C=CC(=C4)O
InChI
InChI=1S/C18H19N3O2/c1-11-19-7-8-21(11)10-12-3-5-16-17(18(12)23)14-9-13(22)4-6-15(14)20(16)2/h4,6-9,12,22H,3,5,10H2,1-2H3
InChIKey
LMMFEGYKXLPLFC-UHFFFAOYSA-N
Compound name
6-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

0
References

4
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 174.4
[M+Na]+ 332.13696 185.7
[M-H]- 308.14046 179.2
[M+NH4]+ 327.18156 190.8
[M+K]+ 348.11090 179.5
[M+H-H2O]+ 292.14500 166.3
[M+HCOO]- 354.14594 192.1
[M+CH3COO]- 368.16159 185.8
[M+Na-2H]- 330.12241 174.3
[M]+ 309.14719 176.9
[M]- 309.14829 176.9
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