CID 1995435
587011-30-1
Structural Information
- Molecular Formula
- C19H20ClN5OS
- SMILES
- CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2Cl)C)C)C3=CC=NC=C3
- InChI
- InChI=1S/C19H20ClN5OS/c1-4-25-18(14-5-7-21-8-6-14)23-24-19(25)27-11-16(26)22-17-13(3)9-12(2)10-15(17)20/h5-10H,4,11H2,1-3H3,(H,22,26)
- InChIKey
- HQQNYGZBSLTCPZ-UHFFFAOYSA-N
- Compound name
- N-(2-chloro-4,6-dimethylphenyl)-2-[(4-ethyl-5-pyridin-4-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]+ | 402.11498 | 194.2 |
[M+Na]+ | 424.09692 | 204.6 |
[M-H]- | 400.10042 | 199.9 |
[M+NH4]+ | 419.14152 | 203.4 |
[M+K]+ | 440.07086 | 196.5 |
[M+H-H2O]+ | 384.10496 | 184.2 |
[M+HCOO]- | 446.10590 | 204.5 |
[M+CH3COO]- | 460.12155 | 203.5 |
[M+Na-2H]- | 422.08237 | 192.0 |
[M]+ | 401.10715 | 200.8 |
[M]- | 401.10825 | 200.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.