CID 704537
5-(furan-2-yl)-4-(4-methoxyphenyl)-4h-1,2,4-triazole-3-thiol
Structural Information
- Molecular Formula
- C13H11N3O2S
- SMILES
- COC1=CC=C(C=C1)N2C(=NNC2=S)C3=CC=CO3
- InChI
- InChI=1S/C13H11N3O2S/c1-17-10-6-4-9(5-7-10)16-12(14-15-13(16)19)11-3-2-8-18-11/h2-8H,1H3,(H,15,19)
- InChIKey
- IUUXUQJNQPJBCJ-UHFFFAOYSA-N
- Compound name
- 3-(furan-2-yl)-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 274.06448 | 157.9 |
[M+Na]+ | 296.04642 | 170.9 |
[M-H]- | 272.04992 | 165.6 |
[M+NH4]+ | 291.09102 | 173.0 |
[M+K]+ | 312.02036 | 166.5 |
[M+H-H2O]+ | 256.05446 | 150.7 |
[M+HCOO]- | 318.05540 | 176.8 |
[M+CH3COO]- | 332.07105 | 171.4 |
[M+Na-2H]- | 294.03187 | 158.8 |
[M]+ | 273.05665 | 163.3 |
[M]- | 273.05775 | 163.3 |