CID 205743

18520-43-9

Structural Information

Molecular Formula
C31H30N4O3
SMILES
CC[N+]1=CC=CC2=C1C=CC(=C2)NC(=O)COC3=CC=C(C=C3)C(=O)NC4=CC5=C(C=C4)[N+](=CC=C5)CC
InChI
InChI=1S/C31H28N4O3/c1-3-34-17-5-7-23-19-25(11-15-28(23)34)32-30(36)21-38-27-13-9-22(10-14-27)31(37)33-26-12-16-29-24(20-26)8-6-18-35(29)4-2/h5-20H,3-4,21H2,1-2H3/p+2
InChIKey
AHVFTYNGCNUNQP-UHFFFAOYSA-P
Compound name
N-(1-ethylquinolin-1-ium-6-yl)-4-[2-[(1-ethylquinolin-1-ium-6-yl)amino]-2-oxoethoxy]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

506.23178 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.23906 223.9
[M+Na]+ 529.22100 244.1
[M+NH4]+ 524.26560 232.1
[M+K]+ 545.19494 235.0
[M-H]- 505.22450 234.9
[M+Na-2H]- 527.20645 235.3
[M]+ 506.23123 230.7
[M]- 506.23233 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.