CID 4326157
Dtxsid20896280
Structural Information
- Molecular Formula
- C17H13F9N2O2S
- SMILES
- CCOC(=O)C1=C(NC(=S)NC1C2=CC=CC=C2)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
- InChI
- InChI=1S/C17H13F9N2O2S/c1-2-30-12(29)9-10(8-6-4-3-5-7-8)27-13(31)28-11(9)14(18,19)15(20,21)16(22,23)17(24,25)26/h3-7,10H,2H2,1H3,(H2,27,28,31)
- InChIKey
- DPPZXQLFUUGHRN-UHFFFAOYSA-N
- Compound name
- ethyl 6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 481.06268 | 199.2 |
[M+Na]+ | 503.04462 | 206.0 |
[M-H]- | 479.04812 | 188.8 |
[M+NH4]+ | 498.08922 | 202.9 |
[M+K]+ | 519.01856 | 197.9 |
[M+H-H2O]+ | 463.05266 | 184.6 |
[M+HCOO]- | 525.05360 | 193.3 |
[M+CH3COO]- | 539.06925 | 227.6 |
[M+Na-2H]- | 501.03007 | 196.8 |
[M]+ | 480.05485 | 184.8 |
[M]- | 480.05595 | 184.8 |
Literature stripe
Patent stripe
No patent data available for this compound.