CID 205745

Quinolinium, 1-propyl-6-(p-(1-propyl-6-quinoliniocarbamoyl)phenoxyacetamido)-, ditosylate

Structural Information

Molecular Formula
C33H35N4O3
SMILES
CCCC1(CC=C2C(=C1)C=CC=N2)NC(=O)COC3=CC=C(C=C3)C(=O)NC4=CC5=C(C=C4)[N+](=CC=C5)CCC
InChI
InChI=1S/C33H34N4O3/c1-3-16-33(17-15-29-26(22-33)7-5-18-34-29)36-31(38)23-40-28-12-9-24(10-13-28)32(39)35-27-11-14-30-25(21-27)8-6-20-37(30)19-4-2/h5-15,18,20-22H,3-4,16-17,19,23H2,1-2H3,(H-,35,36,38,39)/p+1
InChIKey
JUUOBAWEVHZRNH-UHFFFAOYSA-O
Compound name
4-[2-oxo-2-[(6-propyl-7H-quinolin-6-yl)amino]ethoxy]-N-(1-propylquinolin-1-ium-6-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

535.27094 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 536.27822 237.4
[M+Na]+ 558.26016 240.3
[M-H]- 534.26366 244.6
[M+NH4]+ 553.30476 241.3
[M+K]+ 574.23410 227.8
[M+H-H2O]+ 518.26820 224.9
[M+HCOO]- 580.26914 252.5
[M+CH3COO]- 594.28479 246.8
[M+Na-2H]- 556.24561 243.5
[M]+ 535.27039 238.3
[M]- 535.27149 238.3
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.