CID 3052468

68772-21-4

Structural Information

Molecular Formula
C31H30N4O
SMILES
CC[N+]1=CC=C(C=C1)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)NC4=CC=[N+](C5=CC=CC=C45)CC
InChI
InChI=1S/C31H28N4O/c1-3-34-20-17-24(18-21-34)23-9-13-27(14-10-23)33-31(36)25-11-15-26(16-12-25)32-29-19-22-35(4-2)30-8-6-5-7-28(29)30/h5-22H,3-4H2,1-2H3/p+2
InChIKey
WXIFGSFFBJTKDC-UHFFFAOYSA-P
Compound name
N-[4-(1-ethylpyridin-1-ium-4-yl)phenyl]-4-[(1-ethylquinolin-1-ium-4-yl)amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

474.24197 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.24925 219.9
[M+Na]+ 497.23119 241.5
[M+NH4]+ 492.27579 229.5
[M+K]+ 513.20513 230.9
[M-H]- 473.23469 233.5
[M+Na-2H]- 495.21664 234.2
[M]+ 474.24142 227.9
[M]- 474.24252 227.9
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

patents stripe