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 178.6
[M+Na]+ 365.24108 180.0
[M-H]- 341.24458 178.9
[M+NH4]+ 360.28568 189.8
[M+K]+ 381.21502 167.1
[M+H-H2O]+ 325.24912 177.9
[M+HCOO]- 387.25006 193.8
[M+CH3COO]- 401.26571 201.1
[M+Na-2H]- 363.22653 186.3
[M]+ 342.25131 176.6
[M]- 342.25241 176.6
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.