CID 46765

Benzilyloxypropyldiethylmethylammonium chloride

Structural Information

Molecular Formula
C22H30NO3
SMILES
CC[N+](C)(CC)CCCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O
InChI
InChI=1S/C22H30NO3/c1-4-23(3,5-2)17-12-18-26-21(24)22(25,19-13-8-6-9-14-19)20-15-10-7-11-16-20/h6-11,13-16,25H,4-5,12,17-18H2,1-3H3/q+1
InChIKey
KTEVOXBOOCOEEI-UHFFFAOYSA-N
Compound name
diethyl-[3-(2-hydroxy-2,2-diphenylacetyl)oxypropyl]-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.22256 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.229836 189.0
[M+Na]+ 379.211778 191.6
[M-H]- 355.215284 194.6
[M+NH4]+ 374.256383 200.9
[M+K]+ 395.185718 182.7
[M+H-H2O]+ 339.219820 183.4
[M+HCOO]- 401.220761 207.8
[M+CH3COO]- 415.236411 210.0
[M+Na-2H]- 377.197226 196.3
[M]+ 356.22201142 190.2
[M]- 356.22310858 190.2
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.