CID 215569

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

Structural Information

Molecular Formula
C23H33NO3
SMILES
CC1=C(C(=CC=C1)C)C(C2=C(C=CC=C2C)C)OCCOCC[N+](C)(C)[O-]
InChI
InChI=1S/C23H33NO3/c1-17-9-7-10-18(2)21(17)23(22-19(3)11-8-12-20(22)4)27-16-15-26-14-13-24(5,6)25/h7-12,23H,13-16H2,1-6H3
InChIKey
JHWKUZNTUFHELW-UHFFFAOYSA-N
Compound name
2-[2-[bis(2,6-dimethylphenyl)methoxy]ethoxy]-N,N-dimethylethanamine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.24603 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.253306 193.7
[M+Na]+ 394.235248 198.4
[M-H]- 370.238754 199.9
[M+NH4]+ 389.279853 205.9
[M+K]+ 410.209188 190.4
[M+H-H2O]+ 354.243290 189.9
[M+HCOO]- 416.244231 214.2
[M+CH3COO]- 430.259881 218.4
[M+Na-2H]- 392.220696 196.2
[M]+ 371.24548142 197.4
[M]- 371.24657858 197.4
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.