CID 1390040
477330-33-9
Structural Information
- Molecular Formula
- C23H20BrN5OS
- SMILES
- CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Br)C4=CC=NC=C4)C
- InChI
- InChI=1S/C23H20BrN5OS/c1-15-3-6-19(13-16(15)2)26-21(30)14-31-23-28-27-22(17-9-11-25-12-10-17)29(23)20-7-4-18(24)5-8-20/h3-13H,14H2,1-2H3,(H,26,30)
- InChIKey
- DFNUGXRXKBSAIM-UHFFFAOYSA-N
- Compound name
- 2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 494.06448 | 199.6 |
[M+Na]+ | 516.04642 | 205.8 |
[M+NH4]+ | 511.09102 | 202.7 |
[M+K]+ | 532.02036 | 203.7 |
[M-H]- | 492.04992 | 204.3 |
[M+Na-2H]- | 514.03187 | 206.5 |
[M]+ | 493.05665 | 201.2 |
[M]- | 493.05775 | 201.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.