CID 6859365
613248-90-1
Structural Information
- Molecular Formula
- C15H14N4O2S
- SMILES
- CC1=CC=C(O1)/C=N/N2C(=NNC2=S)C3=CC(=CC=C3)OC
- InChI
- InChI=1S/C15H14N4O2S/c1-10-6-7-13(21-10)9-16-19-14(17-18-15(19)22)11-4-3-5-12(8-11)20-2/h3-9H,1-2H3,(H,18,22)/b16-9+
- InChIKey
- YETPSOPXOYIQHD-CXUHLZMHSA-N
- Compound name
- 3-(3-methoxyphenyl)-4-[(E)-(5-methylfuran-2-yl)methylideneamino]-1H-1,2,4-triazole-5-thione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 315.09102 | 171.5 |
[M+Na]+ | 337.07296 | 185.7 |
[M+NH4]+ | 332.11756 | 178.1 |
[M+K]+ | 353.04690 | 180.8 |
[M-H]- | 313.07646 | 176.8 |
[M+Na-2H]- | 335.05841 | 179.0 |
[M]+ | 314.08319 | 175.4 |
[M]- | 314.08429 | 175.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.