CID 723195
Brn 4501885
Structural Information
- Molecular Formula
- C11H15N3O3S
- SMILES
- CC1=CC(=NC(=N1)SCC(=O)O)N2CCOCC2
- InChI
- InChI=1S/C11H15N3O3S/c1-8-6-9(14-2-4-17-5-3-14)13-11(12-8)18-7-10(15)16/h6H,2-5,7H2,1H3,(H,15,16)
- InChIKey
- HPHQJXBLTTXGLW-UHFFFAOYSA-N
- Compound name
- 2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 270.09068 | 159.6 |
[M+Na]+ | 292.07262 | 171.0 |
[M+NH4]+ | 287.11722 | 165.7 |
[M+K]+ | 308.04656 | 164.6 |
[M-H]- | 268.07612 | 161.8 |
[M+Na-2H]- | 290.05807 | 163.8 |
[M]+ | 269.08285 | 162.1 |
[M]- | 269.08395 | 162.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.