CID 206455

Quinolinium, 7-chloro-1-methyl-4-(p-((p-((1-methylpyridinium-4-yl)amino)phenyl)carbamoyl)anilino)-, dibromide

Structural Information

Molecular Formula
C29H26ClN5O
SMILES
C[N+]1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)NC4=C5C=CC(=CC5=[N+](C=C4)C)Cl
InChI
InChI=1S/C29H24ClN5O/c1-34-16-13-25(14-17-34)31-22-8-10-24(11-9-22)33-29(36)20-3-6-23(7-4-20)32-27-15-18-35(2)28-19-21(30)5-12-26(27)28/h3-19H,1-2H3,(H,33,36)/p+2
InChIKey
ZPTABORKIHAMGY-UHFFFAOYSA-P
Compound name
4-[(7-chloro-1-methylquinolin-1-ium-4-yl)amino]-N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

495.1826 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.18988 222.2
[M+Na]+ 518.17182 244.1
[M+NH4]+ 513.21642 231.9
[M+K]+ 534.14576 233.5
[M-H]- 494.17532 236.2
[M+Na-2H]- 516.15727 236.3
[M]+ 495.18205 230.5
[M]- 495.18315 230.5
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.