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
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 |