CID 206483

Quinolinium, 6-amino-1-ethyl-4-(p-(p-((1-ethylpyridinium-4-yl)amino)benzamido)anilino)-, diiodide

Structural Information

Molecular Formula
C31H32N6O
SMILES
CC[N+]1=CC=C(C=C1)NC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)NC4=C5C=C(C=CC5=[N+](C=C4)CC)N
InChI
InChI=1S/C31H30N6O/c1-3-36-18-15-27(16-19-36)33-24-8-5-22(6-9-24)31(38)35-26-12-10-25(11-13-26)34-29-17-20-37(4-2)30-14-7-23(32)21-28(29)30/h5-21H,3-4,32H2,1-2H3,(H,35,38)/p+2
InChIKey
IQHMCQCNAIQBLQ-UHFFFAOYSA-P
Compound name
N-[4-[(6-amino-1-ethylquinolin-1-ium-4-yl)amino]phenyl]-4-[(1-ethylpyridin-1-ium-4-yl)amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

504.26376 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.27104 225.6
[M+Na]+ 527.25298 244.7
[M+NH4]+ 522.29758 234.0
[M+K]+ 543.22692 235.5
[M-H]- 503.25648 239.6
[M+Na-2H]- 525.23843 238.6
[M]+ 504.26321 233.1
[M]- 504.26431 233.1
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

patents stripe