CID 210365
Brn 3008171
Structural Information
- Molecular Formula
- C20H25NO3S2
- SMILES
- C1CC2=C(C=CC(=C2)CCCCNCCSS(=O)(=O)O)C3=CC=CC=C31
- InChI
- InChI=1S/C20H25NO3S2/c22-26(23,24)25-14-13-21-12-4-3-5-16-8-11-20-18(15-16)10-9-17-6-1-2-7-19(17)20/h1-2,6-8,11,15,21H,3-5,9-10,12-14H2,(H,22,23,24)
- InChIKey
- IMWBCRPNDCWHIF-UHFFFAOYSA-N
- Compound name
- 2-[4-(2-sulfosulfanylethylamino)butyl]-9,10-dihydrophenanthrene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 392.13488 | 185.6 |
[M+Na]+ | 414.11682 | 190.7 |
[M-H]- | 390.12032 | 187.3 |
[M+NH4]+ | 409.16142 | 198.5 |
[M+K]+ | 430.09076 | 183.3 |
[M+H-H2O]+ | 374.12486 | 178.8 |
[M+HCOO]- | 436.12580 | 193.1 |
[M+CH3COO]- | 450.14145 | 217.4 |
[M+Na-2H]- | 412.10227 | 190.7 |
[M]+ | 391.12705 | 189.4 |
[M]- | 391.12815 | 189.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.