CID 206463

Quinolinium, 8-methoxy-1-methyl-4-(p-((p-((1-methylpyridinium-4-yl)amino)phenyl)carbamoyl)anilino)-, dibromide

Structural Information

Molecular Formula
C30H29N5O2
SMILES
C[N+]1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)NC4=C5C=CC=C(C5=[N+](C=C4)C)OC
InChI
InChI=1S/C30H27N5O2/c1-34-18-15-25(16-19-34)31-22-11-13-24(14-12-22)33-30(36)21-7-9-23(10-8-21)32-27-17-20-35(2)29-26(27)5-4-6-28(29)37-3/h4-20H,1-3H3,(H,33,36)/p+2
InChIKey
PFXOJGCNDJEWLB-UHFFFAOYSA-P
Compound name
4-[(8-methoxy-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

491.23212 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 492.23940 222.0
[M+Na]+ 514.22134 242.3
[M+NH4]+ 509.26594 230.6
[M+K]+ 530.19528 233.1
[M-H]- 490.22484 235.5
[M+Na-2H]- 512.20679 235.5
[M]+ 491.23157 229.6
[M]- 491.23267 229.6
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

No patent data available for this compound.