CID 44629788

188944-77-6

Structural Information

Molecular Formula
C16H22BrN2
SMILES
CC1=CC(=[N+](C(=C1)C)[Br-][N+]2=C(C=C(C=C2C)C)C)C
InChI
InChI=1S/C16H22BrN2/c1-11-7-13(3)18(14(4)8-11)17-19-15(5)9-12(2)10-16(19)6/h7-10H,1-6H3/q+1
InChIKey
DWDPGQBPOJKMQW-UHFFFAOYSA-N
Compound name
2,4,6-trimethyl-1-(2,4,6-trimethylpyridin-1-ium-1-yl)bromanuidylpyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.09665 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.10393 None
[M+Na]+ 344.08587 None
[M+NH4]+ 339.13047 None
[M+K]+ 360.05981 None
[M-H]- 320.08937 None
[M+Na-2H]- 342.07132 None
[M]+ 321.09610 None
[M]- 321.09720 None
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.