CID 1339987
377065-80-0
Structural Information
- Molecular Formula
- C17H15ClN4OS2
- SMILES
- C=CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)Cl)C3=CC=CS3
- InChI
- InChI=1S/C17H15ClN4OS2/c1-2-9-22-16(14-4-3-10-24-14)20-21-17(22)25-11-15(23)19-13-7-5-12(18)6-8-13/h2-8,10H,1,9,11H2,(H,19,23)
- InChIKey
- SHDQCTZJRHEVMD-UHFFFAOYSA-N
- Compound name
- N-(4-chlorophenyl)-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 391.04485 | 188.0 |
[M+Na]+ | 413.02679 | 199.6 |
[M-H]- | 389.03029 | 195.6 |
[M+NH4]+ | 408.07139 | 201.2 |
[M+K]+ | 429.00073 | 191.3 |
[M+H-H2O]+ | 373.03483 | 180.6 |
[M+HCOO]- | 435.03577 | 197.9 |
[M+CH3COO]- | 449.05142 | 198.5 |
[M+Na-2H]- | 411.01224 | 184.6 |
[M]+ | 390.03702 | 195.4 |
[M]- | 390.03812 | 195.4 |