CID 55701

Ammonium, (carboxymethyl)dimethyl(2-hydroxy-3-(1-naphthyloxy)propyl)-, ethyl ester, bromide

Structural Information

Molecular Formula
C19H26NO4
SMILES
CCOC(=O)C[N+](C)(C)CC(COC1=CC=CC2=CC=CC=C21)O
InChI
InChI=1S/C19H26NO4/c1-4-23-19(22)13-20(2,3)12-16(21)14-24-18-11-7-9-15-8-5-6-10-17(15)18/h5-11,16,21H,4,12-14H2,1-3H3/q+1
InChIKey
HLRDQJGHMXDBAF-UHFFFAOYSA-N
Compound name
(2-ethoxy-2-oxoethyl)-(2-hydroxy-3-naphthalen-1-yloxypropyl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.1862 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.19348 180.0
[M+Na]+ 355.17542 184.0
[M-H]- 331.17892 183.7
[M+NH4]+ 350.22002 194.2
[M+K]+ 371.14936 176.4
[M+H-H2O]+ 315.18346 175.3
[M+HCOO]- 377.18440 198.9
[M+CH3COO]- 391.20005 206.4
[M+Na-2H]- 353.16087 186.7
[M]+ 332.18565 183.2
[M]- 332.18675 183.2
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.