CID 1051912
849029-69-2
Structural Information
- Molecular Formula
- C21H23ClN4OS
- SMILES
- CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(C)C)C3=CC(=CC=C3)Cl
- InChI
- InChI=1S/C21H23ClN4OS/c1-4-26-20(16-6-5-7-17(22)12-16)24-25-21(26)28-13-19(27)23-18-10-8-15(9-11-18)14(2)3/h5-12,14H,4,13H2,1-3H3,(H,23,27)
- InChIKey
- PQLPMIKCKLPUOZ-UHFFFAOYSA-N
- Compound name
- 2-[[5-(3-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 415.13538 | 198.1 |
[M+Na]+ | 437.11732 | 206.4 |
[M-H]- | 413.12082 | 204.5 |
[M+NH4]+ | 432.16192 | 207.8 |
[M+K]+ | 453.09126 | 198.7 |
[M+H-H2O]+ | 397.12536 | 188.4 |
[M+HCOO]- | 459.12630 | 208.2 |
[M+CH3COO]- | 473.14195 | 206.9 |
[M+Na-2H]- | 435.10277 | 194.9 |
[M]+ | 414.12755 | 204.1 |
[M]- | 414.12865 | 204.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.