CID 47254

Ammonium, (p-phenylenebis(carbonylmethyl))bis(dimethyl-2-hydroxyethyl-, dibromide

Structural Information

Molecular Formula
C18H30N2O4
SMILES
C[N+](C)(CCO)CC(=O)C1=CC=C(C=C1)C(=O)C[N+](C)(C)CCO
InChI
InChI=1S/C18H30N2O4/c1-19(2,9-11-21)13-17(23)15-5-7-16(8-6-15)18(24)14-20(3,4)10-12-22/h5-8,21-22H,9-14H2,1-4H3/q+2
InChIKey
YMQWISBAVSDIAO-UHFFFAOYSA-N
Compound name
2-hydroxyethyl-[2-[4-[2-[2-hydroxyethyl(dimethyl)azaniumyl]acetyl]phenyl]-2-oxoethyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.22055 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.22783 177.0
[M+Na]+ 361.20977 179.9
[M-H]- 337.21327 180.2
[M+NH4]+ 356.25437 189.6
[M+K]+ 377.18371 167.3
[M+H-H2O]+ 321.21781 175.9
[M+HCOO]- 383.21875 195.5
[M+CH3COO]- 397.23440 203.9
[M+Na-2H]- 359.19522 185.6
[M]+ 338.22000 177.3
[M]- 338.22110 177.3
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.