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
2
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]+ 310.155016 174.4
[M+Na]+ 332.136958 185.7
[M-H]- 308.140464 179.2
[M+NH4]+ 327.181563 190.8
[M+K]+ 348.110898 179.5
[M+H-H2O]+ 292.145000 166.3
[M+HCOO]- 354.145941 192.1
[M+CH3COO]- 368.161591 185.8
[M+Na-2H]- 330.122406 174.3
[M]+ 309.14719142 176.9
[M]- 309.14828858 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.