CID 6859579
497824-03-0
Structural Information
- Molecular Formula
- C20H15N5S
- SMILES
- C1=CC=C(C=C1)C2=CC=C(C=C2)/C=N/N3C(=NNC3=S)C4=CC=CC=N4
- InChI
- InChI=1S/C20H15N5S/c26-20-24-23-19(18-8-4-5-13-21-18)25(20)22-14-15-9-11-17(12-10-15)16-6-2-1-3-7-16/h1-14H,(H,24,26)/b22-14+
- InChIKey
- BNBPUDDXNNDPMX-HYARGMPZSA-N
- Compound name
- 4-[(E)-(4-phenylphenyl)methylideneamino]-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 358.11211 | 183.5 |
[M+Na]+ | 380.09405 | 193.9 |
[M-H]- | 356.09755 | 191.9 |
[M+NH4]+ | 375.13865 | 192.6 |
[M+K]+ | 396.06799 | 184.1 |
[M+H-H2O]+ | 340.10209 | 172.3 |
[M+HCOO]- | 402.10303 | 200.6 |
[M+CH3COO]- | 416.11868 | 193.4 |
[M+Na-2H]- | 378.07950 | 186.0 |
[M]+ | 357.10428 | 183.5 |
[M]- | 357.10538 | 183.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.