CID 3003948
Nsc342461
Structural Information
- Molecular Formula
- C16H26N2O2S2
- SMILES
- CC1([C@@H]2C(=O)N3[C@@H](C(=O)N2C(S1)(C)C)C(SC3(C)C)(C)C)C
- InChI
- InChI=1S/C16H26N2O2S2/c1-13(2)9-11(19)18-10(14(3,4)22-16(18,7)8)12(20)17(9)15(5,6)21-13/h9-10H,1-8H3/t9-,10-/m0/s1
- InChIKey
- FOBAKOVYQARJEL-UWVGGRQHSA-N
- Compound name
- (3S,9S)-4,4,6,6,10,10,12,12-octamethyl-5,11-dithia-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 343.15088 | 163.1 |
[M+Na]+ | 365.13282 | 174.9 |
[M-H]- | 341.13632 | 165.3 |
[M+NH4]+ | 360.17742 | 189.1 |
[M+K]+ | 381.10676 | 171.2 |
[M+H-H2O]+ | 325.14086 | 162.6 |
[M+HCOO]- | 387.14180 | 167.2 |
[M+CH3COO]- | 401.15745 | 212.2 |
[M+Na-2H]- | 363.11827 | 164.4 |
[M]+ | 342.14305 | 169.4 |
[M]- | 342.14415 | 169.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.