CID 203286

Quinolinium, 6,6'-(terephthaloyldiimino)bis(1-hexyl-, di-p-toluenesulfonate

Structural Information

Molecular Formula
C38H44N4O2
SMILES
CCCCCC[N+]1=CC=CC2=C1C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC5=C(C=CC=[N+]5CCCCCC)C=C4
InChI
InChI=1S/C38H42N4O2/c1-3-5-7-9-23-41-25-11-13-29-19-21-33(27-35(29)41)39-37(43)31-15-17-32(18-16-31)38(44)40-34-22-20-30-14-12-26-42(36(30)28-34)24-10-8-6-4-2/h11-22,25-28H,3-10,23-24H2,1-2H3/p+2
InChIKey
VKKBANHPKFSAOU-UHFFFAOYSA-P
Compound name
1-N,4-N-bis(1-hexylquinolin-1-ium-7-yl)benzene-1,4-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

588.34644 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 589.35372 260.1
[M+Na]+ 611.33566 260.7
[M-H]- 587.33916 266.5
[M+NH4]+ 606.38026 259.6
[M+K]+ 627.30960 240.8
[M+H-H2O]+ 571.34370 249.3
[M+HCOO]- 633.34464 273.6
[M+CH3COO]- 647.36029 252.8
[M+Na-2H]- 609.32111 264.3
[M]+ 588.34589 261.1
[M]- 588.34699 261.1
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.