CID 71749264

7-hydroxy ondansetron

Structural Information

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

0
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

No patent data available for this compound.