CID 2897972
N-(1-(((2-br-anilino)carbothioyl)amino)-2,2,2-trichloroethyl)-2-methylbenzamide
Structural Information
- Molecular Formula
- C17H15BrCl3N3OS
- SMILES
- CC1=CC=CC=C1C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC=C2Br
- InChI
- InChI=1S/C17H15BrCl3N3OS/c1-10-6-2-3-7-11(10)14(25)23-15(17(19,20)21)24-16(26)22-13-9-5-4-8-12(13)18/h2-9,15H,1H3,(H,23,25)(H2,22,24,26)
- InChIKey
- KAYFXOQNAXEBRV-UHFFFAOYSA-N
- Compound name
- N-[1-[(2-bromophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-2-methylbenzamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 493.92578 | 188.3 |
[M+Na]+ | 515.90772 | 197.4 |
[M-H]- | 491.91122 | 195.6 |
[M+NH4]+ | 510.95232 | 200.9 |
[M+K]+ | 531.88166 | 181.2 |
[M+H-H2O]+ | 475.91576 | 188.5 |
[M+HCOO]- | 537.91670 | 189.5 |
[M+CH3COO]- | 551.93235 | 231.1 |
[M+Na-2H]- | 513.89317 | 190.1 |
[M]+ | 492.91795 | 208.4 |
[M]- | 492.91905 | 208.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.