CID 205729

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

Structural Information

Molecular Formula
C29H27N5O2
SMILES
CC[N+]1=CC=CC2=C1C=CC(=C2)NC(=O)C3=CN=C(C=C3)C(=O)NC4=CC5=C(C=C4)[N+](=CC=C5)CC
InChI
InChI=1S/C29H25N5O2/c1-3-33-15-5-7-20-17-23(10-13-26(20)33)31-28(35)22-9-12-25(30-19-22)29(36)32-24-11-14-27-21(18-24)8-6-16-34(27)4-2/h5-19H,3-4H2,1-2H3/p+2
InChIKey
FNDINDKIRNEGCP-UHFFFAOYSA-P
Compound name
2-N,5-N-bis(1-ethylquinolin-1-ium-6-yl)pyridine-2,5-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

477.21646 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.22374 224.1
[M+Na]+ 500.20568 229.0
[M-H]- 476.20918 231.3
[M+NH4]+ 495.25028 227.1
[M+K]+ 516.17962 210.2
[M+H-H2O]+ 460.21372 214.7
[M+HCOO]- 522.21466 239.6
[M+CH3COO]- 536.23031 230.7
[M+Na-2H]- 498.19113 233.7
[M]+ 477.21591 223.2
[M]- 477.21701 223.2
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.