CID 139595279
2-hydroxy-n-(3-{(2-hydroxy-3-sulfopropyl)[(perfluorohexyl)sulfonyl]amino}propyl)-n,n-dimethyl-3-sulfo-1-propanaminium
Structural Information
- Molecular Formula
- C17H26F13N2O10S3
- SMILES
- C[N+](C)(CCCN(CC(CS(=O)(=O)O)O)S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CC(CS(=O)(=O)O)O
- InChI
- InChI=1S/C17H25F13N2O10S3/c1-32(2,7-11(34)9-44(38,39)40)5-3-4-31(6-10(33)8-43(35,36)37)45(41,42)17(29,30)15(24,25)13(20,21)12(18,19)14(22,23)16(26,27)28/h10-11,33-34H,3-9H2,1-2H3,(H-,35,36,37,38,39,40)/p+1
- InChIKey
- HQILQIXAHVRCNF-UHFFFAOYSA-O
- Compound name
- (2-hydroxy-3-sulfopropyl)-[3-[(2-hydroxy-3-sulfopropyl)-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)amino]propyl]-dimethylazanium
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 762.06148 | 220.5 |
[M+Na]+ | 784.04342 | 217.8 |
[M-H]- | 760.04692 | 233.3 |
[M+NH4]+ | 779.08802 | 232.2 |
[M+K]+ | 800.01736 | 228.4 |
[M+H-H2O]+ | 744.05146 | 201.8 |
[M+HCOO]- | 806.05240 | 229.1 |
[M+CH3COO]- | 820.06805 | 257.6 |
[M+Na-2H]- | 782.02887 | 212.6 |
[M]+ | 761.05365 | 224.3 |
[M]- | 761.05475 | 224.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.