CID 46037

Suxethonium bromide

Structural Information

Molecular Formula
C16H34N2O4
SMILES
CC[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)CC
InChI
InChI=1S/C16H34N2O4/c1-7-17(3,4)11-13-21-15(19)9-10-16(20)22-14-12-18(5,6)8-2/h7-14H2,1-6H3/q+2
InChIKey
DIWYJMPVHQDIMM-UHFFFAOYSA-N
Compound name
ethyl-[2-[4-[2-[ethyl(dimethyl)azaniumyl]ethoxy]-4-oxobutanoyl]oxyethyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

482
Patents

318.25186 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.25914 174.3
[M+Na]+ 341.24108 216.7
[M-H]- 317.24458 208.7
[M+NH4]+ 336.28568 213.1
[M+K]+ 357.21502 167.6
[M+H-H2O]+ 301.24912 173.9
[M+HCOO]- 363.25006 227.3
[M+CH3COO]- 377.26571 205.5
[M+Na-2H]- 339.22653 182.8
[M]+ 318.25131 207.4
[M]- 318.25241 207.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe