CID 44644

Ammonium, oxydiethylenebis(benzyldimethyl-, dichloride

Structural Information

Molecular Formula
C22H34N2O
SMILES
C[N+](C)(CCOCC[N+](C)(C)CC1=CC=CC=C1)CC2=CC=CC=C2
InChI
InChI=1S/C22H34N2O/c1-23(2,19-21-11-7-5-8-12-21)15-17-25-18-16-24(3,4)20-22-13-9-6-10-14-22/h5-14H,15-20H2,1-4H3/q+2
InChIKey
PUIGECVNBBIKBA-UHFFFAOYSA-N
Compound name
benzyl-[2-[2-[benzyl(dimethyl)azaniumyl]ethoxy]ethyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.26712 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.27440 186.2
[M+Na]+ 365.25634 188.6
[M-H]- 341.25984 194.3
[M+NH4]+ 360.30094 199.6
[M+K]+ 381.23028 174.7
[M+H-H2O]+ 325.26438 182.5
[M+HCOO]- 387.26532 208.4
[M+CH3COO]- 401.28097 211.4
[M+Na-2H]- 363.24179 197.5
[M]+ 342.26657 187.3
[M]- 342.26767 187.3
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.