CID 1285027
476483-73-5
Structural Information
- Molecular Formula
- C22H16ClN7OS
- SMILES
- C1=CC(=CC=C1N2C(=NN=C2SCC(=O)NC3=CC4=C(C=C3)C=NN4)C5=CC=NC=C5)Cl
- InChI
- InChI=1S/C22H16ClN7OS/c23-16-2-5-18(6-3-16)30-21(14-7-9-24-10-8-14)28-29-22(30)32-13-20(31)26-17-4-1-15-12-25-27-19(15)11-17/h1-12H,13H2,(H,25,27)(H,26,31)
- InChIKey
- JJFSGDMBHYXFOK-UHFFFAOYSA-N
- Compound name
- 2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(1H-indazol-6-yl)acetamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 462.08983 | 201.3 |
[M+Na]+ | 484.07177 | 212.7 |
[M-H]- | 460.07527 | 208.2 |
[M+NH4]+ | 479.11637 | 206.8 |
[M+K]+ | 500.04571 | 203.0 |
[M+H-H2O]+ | 444.07981 | 190.6 |
[M+HCOO]- | 506.08075 | 210.2 |
[M+CH3COO]- | 520.09640 | 209.4 |
[M+Na-2H]- | 482.05722 | 201.7 |
[M]+ | 461.08200 | 206.6 |
[M]- | 461.08310 | 206.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.