CID 3866647
618098-90-1
Structural Information
- Molecular Formula
- C18H16N2OS
- SMILES
- CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)SC)C=O
- InChI
- InChI=1S/C18H16N2OS/c1-13-3-7-16(8-4-13)20-11-15(12-21)18(19-20)14-5-9-17(22-2)10-6-14/h3-12H,1-2H3
- InChIKey
- PLZJJYANFJOHMY-UHFFFAOYSA-N
- Compound name
- 1-(4-methylphenyl)-3-(4-methylsulfanylphenyl)pyrazole-4-carbaldehyde
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 309.10561 | 172.4 |
[M+Na]+ | 331.08755 | 188.6 |
[M+NH4]+ | 326.13215 | 181.1 |
[M+K]+ | 347.06149 | 179.4 |
[M-H]- | 307.09105 | 178.3 |
[M+Na-2H]- | 329.07300 | 182.1 |
[M]+ | 308.09778 | 177.1 |
[M]- | 308.09888 | 177.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.