CID 1636464
2,6-diamino-4-(3-ethoxy-4-hydroxyphenyl)-4h-thiopyran-3,5-dicarbonitrile
Structural Information
- Molecular Formula
- C15H14N4O2S
- SMILES
- CCOC1=C(C=CC(=C1)C2C(=C(SC(=C2C#N)N)N)C#N)O
- InChI
- InChI=1S/C15H14N4O2S/c1-2-21-12-5-8(3-4-11(12)20)13-9(6-16)14(18)22-15(19)10(13)7-17/h3-5,13,20H,2,18-19H2,1H3
- InChIKey
- RZDQGBKPCARBEK-UHFFFAOYSA-N
- Compound name
- 2,6-diamino-4-(3-ethoxy-4-hydroxyphenyl)-4H-thiopyran-3,5-dicarbonitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 315.09102 | 183.0 |
[M+Na]+ | 337.07296 | 190.6 |
[M+NH4]+ | 332.11756 | 183.0 |
[M+K]+ | 353.04690 | 179.9 |
[M-H]- | 313.07646 | 174.6 |
[M+Na-2H]- | 335.05841 | 181.8 |
[M]+ | 314.08319 | 180.7 |
[M]- | 314.08429 | 180.7 |
Literature stripe
Patent stripe
No patent data available for this compound.