CID 3039327

50425-35-9

Structural Information

Molecular Formula
C29H26N4O
SMILES
C[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)C
InChI
InChI=1S/C29H24N4O/c1-32-18-15-22(16-19-32)21-7-11-25(12-8-21)31-29(34)23-9-13-24(14-10-23)30-27-17-20-33(2)28-6-4-3-5-26(27)28/h3-20H,1-2H3/p+2
InChIKey
YQTSCLAZEMZYRU-UHFFFAOYSA-P
Compound name
N-[4-(1-methylpyridin-1-ium-4-yl)phenyl]-4-[(1-methylquinolin-1-ium-4-yl)amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.21066 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.21794 210.9
[M+Na]+ 469.19988 232.9
[M+NH4]+ 464.24448 220.9
[M+K]+ 485.17382 222.8
[M-H]- 445.20338 224.6
[M+Na-2H]- 467.18533 225.7
[M]+ 446.21011 219.0
[M]- 446.21121 219.0
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.