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 227.9
[M+Na]+ 497.23119 231.4
[M-H]- 473.23469 237.8
[M+NH4]+ 492.27579 231.1
[M+K]+ 513.20513 211.9
[M+H-H2O]+ 457.23923 218.2
[M+HCOO]- 519.24017 244.9
[M+CH3COO]- 533.25582 231.1
[M+Na-2H]- 495.21664 235.0
[M]+ 474.24142 224.6
[M]- 474.24252 224.6
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