CID 205731

Quinolinium, 6,6'-(2,5-pyridinediylbis(carbonylimino))bis(1-propyl-, di-p-toluenesulfonate

Structural Information

Molecular Formula
C31H31N5O2
SMILES
CCC[N+]1=CC=CC2=C1C=CC(=C2)NC(=O)C3=CN=C(C=C3)C(=O)NC4=CC5=C(C=C4)[N+](=CC=C5)CCC
InChI
InChI=1S/C31H29N5O2/c1-3-15-35-17-5-7-22-19-25(10-13-28(22)35)33-30(37)24-9-12-27(32-21-24)31(38)34-26-11-14-29-23(20-26)8-6-18-36(29)16-4-2/h5-14,17-21H,3-4,15-16H2,1-2H3/p+2
InChIKey
QHPXVEGHUUKHIA-UHFFFAOYSA-P
Compound name
2-N,5-N-bis(1-propylquinolin-1-ium-6-yl)pyridine-2,5-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

505.24777 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 506.25505 223.9
[M+Na]+ 528.23699 244.4
[M+NH4]+ 523.28159 231.9
[M+K]+ 544.21093 235.2
[M-H]- 504.24049 234.5
[M+Na-2H]- 526.22244 235.3
[M]+ 505.24722 230.7
[M]- 505.24832 230.7
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.