CID 46763

Benzilyloxyethyldimethylisopropylammonium chloride

Structural Information

Molecular Formula
C21H28NO3
SMILES
CC(C)[N+](C)(C)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O
InChI
InChI=1S/C21H28NO3/c1-17(2)22(3,4)15-16-25-20(23)21(24,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,17,24H,15-16H2,1-4H3/q+1
InChIKey
VMUZFEIBJQNVRP-UHFFFAOYSA-N
Compound name
2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl-dimethyl-propan-2-ylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.2069 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.214176 183.3
[M+Na]+ 365.196118 186.0
[M-H]- 341.199624 189.2
[M+NH4]+ 360.240723 195.6
[M+K]+ 381.170058 178.0
[M+H-H2O]+ 325.204160 178.1
[M+HCOO]- 387.205101 201.4
[M+CH3COO]- 401.220751 207.8
[M+Na-2H]- 363.181566 190.0
[M]+ 342.20635142 183.6
[M]- 342.20744858 183.6
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.