CID 16073042
Chembl211869
Structural Information
- Molecular Formula
- C19H20N4OS
- SMILES
- CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)C)C
- InChI
- InChI=1S/C19H20N4OS/c1-13-4-8-16(9-5-13)20-18(24)12-25-19-22-21-15(3)23(19)17-10-6-14(2)7-11-17/h4-11H,12H2,1-3H3,(H,20,24)
- InChIKey
- BCOQWBXYTVLLIU-UHFFFAOYSA-N
- Compound name
- 2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 353.14305 | 184.0 |
[M+Na]+ | 375.12499 | 193.2 |
[M-H]- | 351.12849 | 190.9 |
[M+NH4]+ | 370.16959 | 195.5 |
[M+K]+ | 391.09893 | 186.5 |
[M+H-H2O]+ | 335.13303 | 174.2 |
[M+HCOO]- | 397.13397 | 200.5 |
[M+CH3COO]- | 411.14962 | 194.3 |
[M+Na-2H]- | 373.11044 | 183.1 |
[M]+ | 352.13522 | 187.9 |
[M]- | 352.13632 | 187.9 |
Literature stripe
Patent stripe
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