CID 683188
N-(2,3-dimethylphenyl)-2-{[4-methyl-5-(trifluoromethyl)-4h-1,2,4-triazol-3-yl]sulfanyl}acetamide
Structural Information
- Molecular Formula
- C14H15F3N4OS
- SMILES
- CC1=C(C(=CC=C1)NC(=O)CSC2=NN=C(N2C)C(F)(F)F)C
- InChI
- InChI=1S/C14H15F3N4OS/c1-8-5-4-6-10(9(8)2)18-11(22)7-23-13-20-19-12(21(13)3)14(15,16)17/h4-6H,7H2,1-3H3,(H,18,22)
- InChIKey
- XYEZQTOSNUBJOZ-UHFFFAOYSA-N
- Compound name
- N-(2,3-dimethylphenyl)-2-[[4-methyl-5-(trifluoromethyl)-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]+ | 345.09914 | 175.6 |
[M+Na]+ | 367.08108 | 185.8 |
[M-H]- | 343.08458 | 175.7 |
[M+NH4]+ | 362.12568 | 187.8 |
[M+K]+ | 383.05502 | 180.1 |
[M+H-H2O]+ | 327.08912 | 164.9 |
[M+HCOO]- | 389.09006 | 187.4 |
[M+CH3COO]- | 403.10571 | 212.3 |
[M+Na-2H]- | 365.06653 | 173.9 |
[M]+ | 344.09131 | 176.4 |
[M]- | 344.09241 | 176.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.