CID 75481184
5-{[(2-chloropyridin-4-yl)amino]methylidene}-2,2-dimethyl-1,3-dioxane-4,6-dione
Structural Information
- Molecular Formula
- C12H11ClN2O4
- SMILES
- CC1(OC(=O)C(=CNC2=CC(=NC=C2)Cl)C(=O)O1)C
- InChI
- InChI=1S/C12H11ClN2O4/c1-12(2)18-10(16)8(11(17)19-12)6-15-7-3-4-14-9(13)5-7/h3-6H,1-2H3,(H,14,15)
- InChIKey
- HPQAIINVWNBJEQ-UHFFFAOYSA-N
- Compound name
- 5-[[(2-chloropyridin-4-yl)amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 283.04802 | 159.9 |
[M+Na]+ | 305.02996 | 169.7 |
[M-H]- | 281.03346 | 167.0 |
[M+NH4]+ | 300.07456 | 174.5 |
[M+K]+ | 321.00390 | 167.7 |
[M+H-H2O]+ | 265.03800 | 153.3 |
[M+HCOO]- | 327.03894 | 175.2 |
[M+CH3COO]- | 341.05459 | 198.5 |
[M+Na-2H]- | 303.01541 | 166.0 |
[M]+ | 282.04019 | 162.6 |
[M]- | 282.04129 | 162.6 |
Literature stripe
No literature data available for this compound.