CID 2106578
957014-27-6
Structural Information
- Molecular Formula
- C18H16N2OS
- SMILES
- CCSC1=CC=C(C=C1)C2=NN(C=C2C=O)C3=CC=CC=C3
- InChI
- InChI=1S/C18H16N2OS/c1-2-22-17-10-8-14(9-11-17)18-15(13-21)12-20(19-18)16-6-4-3-5-7-16/h3-13H,2H2,1H3
- InChIKey
- VKGVBUPMCCGOTA-UHFFFAOYSA-N
- Compound name
- 3-(4-ethylsulfanylphenyl)-1-phenylpyrazole-4-carbaldehyde
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 309.10561 | 171.9 |
[M+Na]+ | 331.08755 | 187.8 |
[M+NH4]+ | 326.13215 | 180.7 |
[M+K]+ | 347.06149 | 178.4 |
[M-H]- | 307.09105 | 177.8 |
[M+Na-2H]- | 329.07300 | 181.9 |
[M]+ | 308.09778 | 176.5 |
[M]- | 308.09888 | 176.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.