CID 6444650
Quinolinium, 6,6'-(styrene-alpha,p-diylbis(carbonylimino))bis(1-propyl-, ditosylate
Structural Information
- Molecular Formula
- C34H34N4O2
- SMILES
- CCC[N+]1=CC=CC2=C1C=C(C=C2)NC(=O)/C=C/C3=CC=C(C=C3)C(=O)NC4=CC5=C(C=CC=[N+]5CCC)C=C4
- InChI
- InChI=1S/C34H32N4O2/c1-3-19-37-21-5-7-26-14-16-29(23-31(26)37)35-33(39)18-11-25-9-12-28(13-10-25)34(40)36-30-17-15-27-8-6-22-38(20-4-2)32(27)24-30/h5-18,21-24H,3-4,19-20H2,1-2H3/p+2/b18-11+
- InChIKey
- OAUBAAQVKCFOLY-WOJGMQOQSA-P
- Compound name
- 4-[(E)-3-oxo-3-[(1-propylquinolin-1-ium-7-yl)amino]prop-1-enyl]-N-(1-propylquinolin-1-ium-7-yl)benzamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 531.27548 | 242.6 |
[M+Na]+ | 553.25742 | 245.5 |
[M-H]- | 529.26092 | 250.0 |
[M+NH4]+ | 548.30202 | 244.6 |
[M+K]+ | 569.23136 | 225.7 |
[M+H-H2O]+ | 513.26546 | 232.8 |
[M+HCOO]- | 575.26640 | 257.8 |
[M+CH3COO]- | 589.28205 | 240.5 |
[M+Na-2H]- | 551.24287 | 248.9 |
[M]+ | 530.26765 | 241.9 |
[M]- | 530.26875 | 241.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.