CID 788513
440638-20-0
Structural Information
- Molecular Formula
- C16H16N4S
- SMILES
- CCN1C(=NN=C1SCC2=CC=CC=C2)C3=CC=NC=C3
- InChI
- InChI=1S/C16H16N4S/c1-2-20-15(14-8-10-17-11-9-14)18-19-16(20)21-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3
- InChIKey
- WWOIKNZOVDZDAT-UHFFFAOYSA-N
- Compound name
- 4-(5-benzylsulfanyl-4-ethyl-1,2,4-triazol-3-yl)pyridine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 297.11684 | 167.3 |
[M+Na]+ | 319.09878 | 177.5 |
[M-H]- | 295.10228 | 172.4 |
[M+NH4]+ | 314.14338 | 179.7 |
[M+K]+ | 335.07272 | 170.8 |
[M+H-H2O]+ | 279.10682 | 157.2 |
[M+HCOO]- | 341.10776 | 183.2 |
[M+CH3COO]- | 355.12341 | 178.4 |
[M+Na-2H]- | 317.08423 | 169.2 |
[M]+ | 296.10901 | 170.4 |
[M]- | 296.11011 | 170.4 |
Literature stripe
Patent stripe
No patent data available for this compound.