CID 3063861

Ammonium, (p-phenylenedimethylene)bis((2,3-dihydroxypropyl)dimethyl-, dibromide

Structural Information

Molecular Formula
C18H34N2O4
SMILES
C[N+](C)(CC1=CC=C(C=C1)C[N+](C)(C)CC(CO)O)CC(CO)O
InChI
InChI=1S/C18H34N2O4/c1-19(2,11-17(23)13-21)9-15-5-7-16(8-6-15)10-20(3,4)12-18(24)14-22/h5-8,17-18,21-24H,9-14H2,1-4H3/q+2
InChIKey
IQDCTGDLFOUHAD-UHFFFAOYSA-N
Compound name
2,3-dihydroxypropyl-[[4-[[2,3-dihydroxypropyl(dimethyl)azaniumyl]methyl]phenyl]methyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.25186 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.25914 179.4
[M+Na]+ 365.24108 189.4
[M+NH4]+ 360.28568 186.1
[M+K]+ 381.21502 187.8
[M-H]- 341.24458 182.1
[M+Na-2H]- 363.22653 183.7
[M]+ 342.25131 182.0
[M]- 342.25241 182.0
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.