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]+ 357.22984 189.0
[M+Na]+ 379.21178 191.6
[M-H]- 355.21528 194.6
[M+NH4]+ 374.25638 200.9
[M+K]+ 395.18572 182.7
[M+H-H2O]+ 339.21982 183.4
[M+HCOO]- 401.22076 207.8
[M+CH3COO]- 415.23641 210.0
[M+Na-2H]- 377.19723 196.3
[M]+ 356.22201 190.2
[M]- 356.22311 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.