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]+ 343.21418 183.3
[M+Na]+ 365.19612 186.0
[M-H]- 341.19962 189.2
[M+NH4]+ 360.24072 195.6
[M+K]+ 381.17006 178.0
[M+H-H2O]+ 325.20416 178.1
[M+HCOO]- 387.20510 201.4
[M+CH3COO]- 401.22075 207.8
[M+Na-2H]- 363.18157 190.0
[M]+ 342.20635 183.6
[M]- 342.20745 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.