CID 104340
52841-43-7
Structural Information
- Molecular Formula
- C14H30N4S2
- SMILES
- C(CCCCCCSC(=N)N)CCCCCSC(=N)N
- InChI
- InChI=1S/C14H30N4S2/c15-13(16)19-11-9-7-5-3-1-2-4-6-8-10-12-20-14(17)18/h1-12H2,(H3,15,16)(H3,17,18)
- InChIKey
- ACLRJYKDXMEGSE-UHFFFAOYSA-N
- Compound name
- 12-carbamimidoylsulfanyldodecyl carbamimidothioate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 319.19848 | 172.6 |
[M+Na]+ | 341.18042 | 172.6 |
[M-H]- | 317.18392 | 169.1 |
[M+NH4]+ | 336.22502 | 185.3 |
[M+K]+ | 357.15436 | 165.9 |
[M+H-H2O]+ | 301.18846 | 163.8 |
[M+HCOO]- | 363.18940 | 182.6 |
[M+CH3COO]- | 377.20505 | 216.4 |
[M+Na-2H]- | 339.16587 | 168.5 |
[M]+ | 318.19065 | 171.0 |
[M]- | 318.19175 | 171.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.