CID 45683

Ammonium, thiodiethylenebis(triethyl-, dibromide

Structural Information

Molecular Formula
C16H38N2S
SMILES
CC[N+](CC)(CC)CCSCC[N+](CC)(CC)CC
InChI
InChI=1S/C16H38N2S/c1-7-17(8-2,9-3)13-15-19-16-14-18(10-4,11-5)12-6/h7-16H2,1-6H3/q+2
InChIKey
NUZICIKDHNIQMQ-UHFFFAOYSA-N
Compound name
triethyl-[2-[2-(triethylazaniumyl)ethylsulfanyl]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.27557 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.28285 171.2
[M+Na]+ 313.26479 182.5
[M+NH4]+ 308.30939 181.2
[M+K]+ 329.23873 174.7
[M-H]- 289.26829 175.8
[M+Na-2H]- 311.25024 176.0
[M]+ 290.27502 175.4
[M]- 290.27612 175.4
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.