CID 206465

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

Structural Information

Molecular Formula
C29H28N6O
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)N
InChI
InChI=1S/C29H26N6O/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,(H3,30,32,33,36)/p+2
InChIKey
SRPYPCHNOMZYFE-UHFFFAOYSA-P
Compound name
4-[(7-amino-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

476.23245 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.239726 219.9
[M+Na]+ 499.221668 223.5
[M-H]- 475.225174 230.0
[M+NH4]+ 494.266273 222.6
[M+K]+ 515.195608 204.6
[M+H-H2O]+ 459.229710 210.9
[M+HCOO]- 521.230651 239.1
[M+CH3COO]- 535.246301 235.9
[M+Na-2H]- 497.207116 229.0
[M]+ 476.23190142 214.9
[M]- 476.23299858 214.9
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

No patent data available for this compound.