CID 35278396
Km-819
Structural Information
- Molecular Formula
- C20H20BrN3OS
- SMILES
- CC1=C(C(=NN1CC2=CC=C(C=C2)Br)C)NC(=O)CSC3=CC=CC=C3
- InChI
- InChI=1S/C20H20BrN3OS/c1-14-20(22-19(25)13-26-18-6-4-3-5-7-18)15(2)24(23-14)12-16-8-10-17(21)11-9-16/h3-11H,12-13H2,1-2H3,(H,22,25)
- InChIKey
- ZUZXCJZLFRPFBD-UHFFFAOYSA-N
- Compound name
- N-[1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-phenylsulfanylacetamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 430.05834 | 185.9 |
[M+Na]+ | 452.04028 | 197.3 |
[M-H]- | 428.04378 | 196.1 |
[M+NH4]+ | 447.08488 | 199.7 |
[M+K]+ | 468.01422 | 183.2 |
[M+H-H2O]+ | 412.04832 | 183.5 |
[M+HCOO]- | 474.04926 | 201.4 |
[M+CH3COO]- | 488.06491 | 198.0 |
[M+Na-2H]- | 450.02573 | 186.6 |
[M]+ | 429.05051 | 208.1 |
[M]- | 429.05161 | 208.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.