CID 215569

2-(2-(bis(2,6-dimethylphenyl)methoxy)ethoxy)-n,n-dimethylethylamine 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]+ 372.25331 193.7
[M+Na]+ 394.23525 198.4
[M-H]- 370.23875 199.9
[M+NH4]+ 389.27985 205.9
[M+K]+ 410.20919 190.4
[M+H-H2O]+ 354.24329 189.9
[M+HCOO]- 416.24423 214.2
[M+CH3COO]- 430.25988 218.4
[M+Na-2H]- 392.22070 196.2
[M]+ 371.24548 197.4
[M]- 371.24658 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.