CID 169501847
Ranolazine metabolite cvt-5028-sulfate
Structural Information
- Molecular Formula
- C24H33N3O8S
- SMILES
- CC1=CC(=CC(=C1NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O)C)OS(=O)(=O)O
- InChI
- InChI=1S/C24H33N3O8S/c1-17-12-20(35-36(30,31)32)13-18(2)24(17)25-23(29)15-27-10-8-26(9-11-27)14-19(28)16-34-22-7-5-4-6-21(22)33-3/h4-7,12-13,19,28H,8-11,14-16H2,1-3H3,(H,25,29)(H,30,31,32)
- InChIKey
- DYEGJTFUWSZBNI-UHFFFAOYSA-N
- Compound name
- [4-[[2-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetyl]amino]-3,5-dimethylphenyl] hydrogen sulfate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 524.20613 | 218.8 |
[M+Na]+ | 546.18807 | 219.9 |
[M-H]- | 522.19157 | 221.7 |
[M+NH4]+ | 541.23267 | 219.6 |
[M+K]+ | 562.16201 | 217.1 |
[M+H-H2O]+ | 506.19611 | 208.3 |
[M+HCOO]- | 568.19705 | 225.4 |
[M+CH3COO]- | 582.21270 | 241.3 |
[M+Na-2H]- | 544.17352 | 217.0 |
[M]+ | 523.19830 | 222.5 |
[M]- | 523.19940 | 222.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.