CID 35342

Ammonium, hexamethylenebis(dimethyl(diphenylmethyl)-, dibromide

Structural Information

Molecular Formula
C36H46N2
SMILES
C[N+](C)(CCCCCC[N+](C)(C)C(C1=CC=CC=C1)C2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C36H46N2/c1-37(2,35(31-21-11-7-12-22-31)32-23-13-8-14-24-32)29-19-5-6-20-30-38(3,4)36(33-25-15-9-16-26-33)34-27-17-10-18-28-34/h7-18,21-28,35-36H,5-6,19-20,29-30H2,1-4H3/q+2
InChIKey
COHASMUEOSKFIT-UHFFFAOYSA-N
Compound name
benzhydryl-[6-[benzhydryl(dimethyl)azaniumyl]hexyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.3661 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.37338 235.3
[M+Na]+ 529.35532 232.6
[M-H]- 505.35882 246.7
[M+NH4]+ 524.39992 239.9
[M+K]+ 545.32926 215.3
[M+H-H2O]+ 489.36336 227.0
[M+HCOO]- 551.36430 251.9
[M+CH3COO]- 565.37995 242.6
[M+Na-2H]- 527.34077 241.0
[M]+ 506.36555 232.6
[M]- 506.36665 232.6
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.