CID 3040972

Quinolinium, 6-amino-4-((3-amino-4-(((4-((1-methylpyridinium-4-yl)amino)phenyl)amino)carbonyl)phenyl)amino)-1,2-dimethyl-, diiodide

Structural Information

Molecular Formula
C30H31N7O
SMILES
CC1=CC(=C2C=C(C=CC2=[N+]1C)N)NC3=CC(=C(C=C3)C(=O)NC4=CC=C(C=C4)NC5=CC=[N+](C=C5)C)N
InChI
InChI=1S/C30H29N7O/c1-19-16-28(26-17-20(31)4-11-29(26)37(19)3)34-24-9-10-25(27(32)18-24)30(38)35-22-7-5-21(6-8-22)33-23-12-14-36(2)15-13-23/h4-18H,31H2,1-3H3,(H3,32,35,38)/p+2
InChIKey
XQIARJRJHXEBEZ-UHFFFAOYSA-P
Compound name
2-amino-4-[(6-amino-1,2-dimethylquinolin-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

505.259 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 506.26628 227.5
[M+Na]+ 528.24822 231.5
[M-H]- 504.25172 237.8
[M+NH4]+ 523.29282 229.2
[M+K]+ 544.22216 212.9
[M+H-H2O]+ 488.25626 218.7
[M+HCOO]- 550.25720 246.7
[M+CH3COO]- 564.27285 245.7
[M+Na-2H]- 526.23367 234.8
[M]+ 505.25845 222.5
[M]- 505.25955 222.5
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.