CID 37295

Ethylamine, 2-(bis(2,6-dimethylphenyl)methoxy)-n,n-dimethyl-, n-oxide, hydrochloride

Structural Information

Molecular Formula
C21H30NO2
SMILES
CC1=C(C(=CC=C1)C)C(C2=C(C=CC=C2C)C)OCC[N+](C)(C)O
InChI
InChI=1S/C21H30NO2/c1-15-9-7-10-16(2)19(15)21(24-14-13-22(5,6)23)20-17(3)11-8-12-18(20)4/h7-12,21,23H,13-14H2,1-6H3/q+1
InChIKey
KUFLBBSSRDOLOJ-UHFFFAOYSA-N
Compound name
2-[bis(2,6-dimethylphenyl)methoxy]ethyl-hydroxy-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.22766 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.23494 180.9
[M+Na]+ 351.21688 196.3
[M+NH4]+ 346.26148 189.8
[M+K]+ 367.19082 189.4
[M-H]- 327.22038 187.4
[M+Na-2H]- 349.20233 189.5
[M]+ 328.22711 185.6
[M]- 328.22821 185.6
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.