CID 6446959

1-methyl-4-(p-(p-((1-methylpyridinium-4-yl)amino)styryl)anilino)quinolium dibromide

Structural Information

Molecular Formula
C30H28N4
SMILES
C[N+]1=CC=C(C=C1)NC2=CC=C(C=C2)/C=C/C3=CC=C(C=C3)NC4=CC=[N+](C5=CC=CC=C45)C
InChI
InChI=1S/C30H26N4/c1-33-20-17-27(18-21-33)31-25-13-9-23(10-14-25)7-8-24-11-15-26(16-12-24)32-29-19-22-34(2)30-6-4-3-5-28(29)30/h3-22H,1-2H3/p+2/b8-7+
InChIKey
OWUHGMZIBCCZJU-BQYQJAHWSA-P
Compound name
1-methyl-N-[4-[(E)-2-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]ethenyl]phenyl]quinolin-1-ium-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

444.23138 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.23866 220.9
[M+Na]+ 467.22060 225.6
[M-H]- 443.22410 230.8
[M+NH4]+ 462.26520 225.6
[M+K]+ 483.19454 204.8
[M+H-H2O]+ 427.22864 211.4
[M+HCOO]- 489.22958 239.0
[M+CH3COO]- 503.24523 225.7
[M+Na-2H]- 465.20605 229.3
[M]+ 444.23083 216.7
[M]- 444.23193 216.7
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