CID 3024453
Brn 5587025
Structural Information
- Molecular Formula
- C11H15N3O3S
- SMILES
- COC(=O)CSC1=NC=NC(=C1)N2CCOCC2
- InChI
- InChI=1S/C11H15N3O3S/c1-16-11(15)7-18-10-6-9(12-8-13-10)14-2-4-17-5-3-14/h6,8H,2-5,7H2,1H3
- InChIKey
- AOGPRKTUKUKIIV-UHFFFAOYSA-N
- Compound name
- methyl 2-(6-morpholin-4-ylpyrimidin-4-yl)sulfanylacetate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 270.09068 | 159.0 |
[M+Na]+ | 292.07262 | 170.6 |
[M+NH4]+ | 287.11722 | 165.5 |
[M+K]+ | 308.04656 | 163.7 |
[M-H]- | 268.07612 | 161.7 |
[M+Na-2H]- | 290.05807 | 164.1 |
[M]+ | 269.08285 | 161.7 |
[M]- | 269.08395 | 161.7 |
Literature stripe
Patent stripe
No patent data available for this compound.