CID 159725

14120-88-8

Structural Information

Molecular Formula
C34H36N4O2
SMILES
CCCC[N+]1=CC=CC2=C1C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC5=C(C=C4)[N+](=CC=C5)CCCC
InChI
InChI=1S/C34H34N4O2/c1-3-5-19-37-21-7-9-27-23-29(15-17-31(27)37)35-33(39)25-11-13-26(14-12-25)34(40)36-30-16-18-32-28(24-30)10-8-22-38(32)20-6-4-2/h7-18,21-24H,3-6,19-20H2,1-2H3/p+2
InChIKey
MEGFAMLOEVMROT-UHFFFAOYSA-P
Compound name
1-N,4-N-bis(1-butylquinolin-1-ium-6-yl)benzene-1,4-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

532.2838 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.29108 243.0
[M+Na]+ 555.27302 245.5
[M-H]- 531.27652 250.3
[M+NH4]+ 550.31762 244.9
[M+K]+ 571.24696 226.3
[M+H-H2O]+ 515.28106 233.1
[M+HCOO]- 577.28200 257.9
[M+CH3COO]- 591.29765 241.9
[M+Na-2H]- 553.25847 249.3
[M]+ 532.28325 242.9
[M]- 532.28435 242.9
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.