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

compound 2d structure
1
Annotation Hits

0
References

0
Patents

530.2682 Da
Monoisotopic Mass

6.5
XlogP (predicted)

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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.