CID 116328
Usaf el-4
Structural Information
- Molecular Formula
- C16H18N4O2S3
- SMILES
- C1=CC(=CC=C1CSC(=N)N)S(=O)(=O)C2=CC=C(C=C2)CSC(=N)N
- InChI
- InChI=1S/C16H18N4O2S3/c17-15(18)23-9-11-1-5-13(6-2-11)25(21,22)14-7-3-12(4-8-14)10-24-16(19)20/h1-8H,9-10H2,(H3,17,18)(H3,19,20)
- InChIKey
- QSTCUWBRPXACKO-UHFFFAOYSA-N
- Compound name
- [4-[4-(carbamimidoylsulfanylmethyl)phenyl]sulfonylphenyl]methyl carbamimidothioate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 395.06648 | 185.5 |
[M+Na]+ | 417.04842 | 189.3 |
[M-H]- | 393.05192 | 187.9 |
[M+NH4]+ | 412.09302 | 194.4 |
[M+K]+ | 433.02236 | 178.9 |
[M+H-H2O]+ | 377.05646 | 176.8 |
[M+HCOO]- | 439.05740 | 191.5 |
[M+CH3COO]- | 453.07305 | 223.8 |
[M+Na-2H]- | 415.03387 | 187.0 |
[M]+ | 394.05865 | 181.1 |
[M]- | 394.05975 | 181.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.