CID 116107

Hexamethylenebis(2-carbazol-9-ylethyl)dimethylammonium bromide

Structural Information

Molecular Formula
C38H48N4
SMILES
C[N+](C)(CCCCCC[N+](C)(C)CCN1C2=CC=CC=C2C3=CC=CC=C31)CCN4C5=CC=CC=C5C6=CC=CC=C64
InChI
InChI=1S/C38H48N4/c1-41(2,29-25-39-35-21-11-7-17-31(35)32-18-8-12-22-36(32)39)27-15-5-6-16-28-42(3,4)30-26-40-37-23-13-9-19-33(37)34-20-10-14-24-38(34)40/h7-14,17-24H,5-6,15-16,25-30H2,1-4H3/q+2
InChIKey
PVZPXILMWADPJU-UHFFFAOYSA-N
Compound name
2-carbazol-9-ylethyl-[6-[2-carbazol-9-ylethyl(dimethyl)azaniumyl]hexyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

560.3879 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 561.39518 252.6
[M+Na]+ 583.37712 256.8
[M-H]- 559.38062 261.9
[M+NH4]+ 578.42172 261.4
[M+K]+ 599.35106 237.4
[M+H-H2O]+ 543.38516 244.6
[M+HCOO]- 605.38610 269.2
[M+CH3COO]- 619.40175 253.3
[M+Na-2H]- 581.36257 260.6
[M]+ 560.38735 259.1
[M]- 560.38845 259.1
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

No patent data available for this compound.