CID 205725
Quinolinium, 6,6'-(p-phenylenebis(methylenecarbonylimino))bis(1-butyl-, di-p-toluenesulfonate
Structural Information
- Molecular Formula
- C36H40N4O2
- SMILES
- CCCC[N+]1=CC=CC2=C1C=CC(=C2)NC(=O)CC3=CC=C(C=C3)CC(=O)NC4=CC5=C(C=C4)[N+](=CC=C5)CCCC
- InChI
- InChI=1S/C36H38N4O2/c1-3-5-19-39-21-7-9-29-25-31(15-17-33(29)39)37-35(41)23-27-11-13-28(14-12-27)24-36(42)38-32-16-18-34-30(26-32)10-8-22-40(34)20-6-4-2/h7-18,21-22,25-26H,3-6,19-20,23-24H2,1-2H3/p+2
- InChIKey
- RVPPHZBIEROQSM-UHFFFAOYSA-P
- Compound name
- N-(1-butylquinolin-1-ium-6-yl)-2-[4-[2-[(1-butylquinolin-1-ium-6-yl)amino]-2-oxoethyl]phenyl]acetamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 561.32238 | 251.6 |
[M+Na]+ | 583.30432 | 253.1 |
[M-H]- | 559.30782 | 258.5 |
[M+NH4]+ | 578.34892 | 252.3 |
[M+K]+ | 599.27826 | 233.6 |
[M+H-H2O]+ | 543.31236 | 241.3 |
[M+HCOO]- | 605.31330 | 265.8 |
[M+CH3COO]- | 619.32895 | 247.4 |
[M+Na-2H]- | 581.28977 | 256.9 |
[M]+ | 560.31455 | 252.1 |
[M]- | 560.31565 | 252.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.