CID 3039818
S-((4-(1,1-dimethylethyl)phenyl)methyl) o-propyl 3-pyridinylcarbonimidothioate
Structural Information
- Molecular Formula
- C20H26N2OS
- SMILES
- CCCC1=C(C=CC=N1)NC(=O)SCC2=CC=C(C=C2)C(C)(C)C
- InChI
- InChI=1S/C20H26N2OS/c1-5-7-17-18(8-6-13-21-17)22-19(23)24-14-15-9-11-16(12-10-15)20(2,3)4/h6,8-13H,5,7,14H2,1-4H3,(H,22,23)
- InChIKey
- GHKMMSBDVMXFRM-UHFFFAOYSA-N
- Compound name
- S-[(4-tert-butylphenyl)methyl] N-(2-propylpyridin-3-yl)carbamothioate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 343.18385 | 184.6 |
[M+Na]+ | 365.16579 | 190.4 |
[M-H]- | 341.16929 | 189.5 |
[M+NH4]+ | 360.21039 | 197.3 |
[M+K]+ | 381.13973 | 184.7 |
[M+H-H2O]+ | 325.17383 | 175.9 |
[M+HCOO]- | 387.17477 | 199.4 |
[M+CH3COO]- | 401.19042 | 213.8 |
[M+Na-2H]- | 363.15124 | 185.5 |
[M]+ | 342.17602 | 187.9 |
[M]- | 342.17712 | 187.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.