CID 1612543
618432-18-1
Structural Information
- Molecular Formula
- C17H15N3O3S3
- SMILES
- COC1=CC=C(C=C1)CSC2=NN=C(S2)SCC3=CC=C(C=C3)[N+](=O)[O-]
- InChI
- InChI=1S/C17H15N3O3S3/c1-23-15-8-4-13(5-9-15)11-25-17-19-18-16(26-17)24-10-12-2-6-14(7-3-12)20(21)22/h2-9H,10-11H2,1H3
- InChIKey
- WSKUVLYUPKDKRJ-UHFFFAOYSA-N
- Compound name
- 2-[(4-methoxyphenyl)methylsulfanyl]-5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazole
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 406.03484 | 186.3 |
[M+Na]+ | 428.01678 | 193.6 |
[M-H]- | 404.02028 | 192.7 |
[M+NH4]+ | 423.06138 | 195.9 |
[M+K]+ | 443.99072 | 181.1 |
[M+H-H2O]+ | 388.02482 | 182.2 |
[M+HCOO]- | 450.02576 | 194.4 |
[M+CH3COO]- | 464.04141 | 211.8 |
[M+Na-2H]- | 426.00223 | 187.9 |
[M]+ | 405.02701 | 187.4 |
[M]- | 405.02811 | 187.4 |
Literature stripe
Patent stripe
No patent data available for this compound.