CID 64824

Quinolinium, 1-ethyl-6-(p-((1-ethylquinolinium-6-yl)carbamoyl)hydrocinnamamido)-, di-p-toluenesulfonate

Structural Information

Molecular Formula
C32H32N4O2
SMILES
CC[N+]1=CC=CC2=C1C=CC(=C2)NC(=O)CC3=CC=C(C=C3)CC(=O)NC4=CC5=C(C=C4)[N+](=CC=C5)CC
InChI
InChI=1S/C32H30N4O2/c1-3-35-17-5-7-25-21-27(13-15-29(25)35)33-31(37)19-23-9-11-24(12-10-23)20-32(38)34-28-14-16-30-26(22-28)8-6-18-36(30)4-2/h5-18,21-22H,3-4,19-20H2,1-2H3/p+2
InChIKey
XLVZJJAYAPTQME-UHFFFAOYSA-P
Compound name
N-(1-ethylquinolin-1-ium-6-yl)-2-[4-[2-[(1-ethylquinolin-1-ium-6-yl)amino]-2-oxoethyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

504.25253 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.25981 225.4
[M+Na]+ 527.24175 245.9
[M+NH4]+ 522.28635 234.0
[M+K]+ 543.21569 236.0
[M-H]- 503.24525 236.7
[M+Na-2H]- 525.22720 236.9
[M]+ 504.25198 232.4
[M]- 504.25308 232.4
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.