CID 45378

N,n-dimethyl-2-(mesityl(phenyl)methoxy)ethylamine hydrochloride

Structural Information

Molecular Formula
C20H27NO
SMILES
CC1=CC(=C(C(=C1)C)C(C2=CC=CC=C2)OCCN(C)C)C
InChI
InChI=1S/C20H27NO/c1-15-13-16(2)19(17(3)14-15)20(22-12-11-21(4)5)18-9-7-6-8-10-18/h6-10,13-14,20H,11-12H2,1-5H3
InChIKey
CRYYVXVCECPCES-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-[phenyl-(2,4,6-trimethylphenyl)methoxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

297.20926 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.21654 174.4
[M+Na]+ 320.19848 180.1
[M-H]- 296.20198 182.2
[M+NH4]+ 315.24308 190.3
[M+K]+ 336.17242 177.3
[M+H-H2O]+ 280.20652 165.9
[M+HCOO]- 342.20746 197.4
[M+CH3COO]- 356.22311 214.6
[M+Na-2H]- 318.18393 175.4
[M]+ 297.20871 178.1
[M]- 297.20981 178.1
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.