CID 6444878

Quinolinium, 6-amino-1-methyl-4-(p-(p-((1-methylpyridinium-4-yl)amino)styryl)anilino)-, dibromide

Structural Information

Molecular Formula
C30H29N5
SMILES
C[N+]1=CC=C(C=C1)NC2=CC=C(C=C2)/C=C/C3=CC=C(C=C3)NC4=C5C=C(C=CC5=[N+](C=C4)C)N
InChI
InChI=1S/C30H27N5/c1-34-18-15-27(16-19-34)32-25-10-5-22(6-11-25)3-4-23-7-12-26(13-8-23)33-29-17-20-35(2)30-14-9-24(31)21-28(29)30/h3-21H,31H2,1-2H3/p+2/b4-3+
InChIKey
ZWCPSQRQCKGACI-ONEGZZNKSA-P
Compound name
1-methyl-4-N-[4-[(E)-2-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]ethenyl]phenyl]quinolin-1-ium-4,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

459.2423 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.24958 222.2
[M+Na]+ 482.23152 227.0
[M-H]- 458.23502 232.1
[M+NH4]+ 477.27612 226.1
[M+K]+ 498.20546 206.2
[M+H-H2O]+ 442.23956 213.0
[M+HCOO]- 504.24050 240.9
[M+CH3COO]- 518.25615 231.0
[M+Na-2H]- 480.21697 230.2
[M]+ 459.24175 217.3
[M]- 459.24285 217.3
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.