CID 37293

N,n-dimethyl-2-((p-methyl-alpha-phenylbenzyl)oxy)ethylamine n-oxide maleate

Structural Information

Molecular Formula
C18H24NO2
SMILES
CC1=CC=C(C=C1)C(C2=CC=CC=C2)OCC[N+](C)(C)O
InChI
InChI=1S/C18H24NO2/c1-15-9-11-17(12-10-15)18(16-7-5-4-6-8-16)21-14-13-19(2,3)20/h4-12,18,20H,13-14H2,1-3H3/q+1
InChIKey
MOWRBYDGRZYLOS-UHFFFAOYSA-N
Compound name
hydroxy-dimethyl-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.1807 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.18798 168.9
[M+Na]+ 309.16992 173.5
[M-H]- 285.17342 175.3
[M+NH4]+ 304.21452 184.0
[M+K]+ 325.14386 165.0
[M+H-H2O]+ 269.17796 163.8
[M+HCOO]- 331.17890 190.2
[M+CH3COO]- 345.19455 198.5
[M+Na-2H]- 307.15537 176.2
[M]+ 286.18015 169.1
[M]- 286.18125 169.1
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.