CID 205747

18520-45-1

Structural Information

Molecular Formula
C35H38N4O3
SMILES
CCCC[N+]1=CC=CC2=C1C=CC(=C2)NC(=O)COC3=CC=C(C=C3)C(=O)NC4=CC5=C(C=C4)[N+](=CC=C5)CCCC
InChI
InChI=1S/C35H36N4O3/c1-3-5-19-38-21-7-9-27-23-29(13-17-32(27)38)36-34(40)25-42-31-15-11-26(12-16-31)35(41)37-30-14-18-33-28(24-30)10-8-22-39(33)20-6-4-2/h7-18,21-24H,3-6,19-20,25H2,1-2H3/p+2
InChIKey
DJODALRBKFFSMQ-UHFFFAOYSA-P
Compound name
N-(1-butylquinolin-1-ium-6-yl)-4-[2-[(1-butylquinolin-1-ium-6-yl)amino]-2-oxoethoxy]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

562.2944 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 563.30168 241.6
[M+Na]+ 585.28362 261.0
[M+NH4]+ 580.32822 249.2
[M+K]+ 601.25756 251.0
[M-H]- 561.28712 252.4
[M+Na-2H]- 583.26907 251.9
[M]+ 562.29385 248.3
[M]- 562.29495 248.3
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.