CID 45394

2-(p-isopropyldiphenylmethoxy)-n,n-dimethylethylamine hydrochloride

Structural Information

Molecular Formula
C20H27NO
SMILES
CC(C)C1=CC=C(C=C1)C(C2=CC=CC=C2)OCCN(C)C
InChI
InChI=1S/C20H27NO/c1-16(2)17-10-12-19(13-11-17)20(22-15-14-21(3)4)18-8-6-5-7-9-18/h5-13,16,20H,14-15H2,1-4H3
InChIKey
CDQSPYCJHMOSQQ-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-[phenyl-(4-propan-2-ylphenyl)methoxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

297.20926 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.216536 175.4
[M+Na]+ 320.198478 178.9
[M-H]- 296.201984 182.5
[M+NH4]+ 315.243083 190.6
[M+K]+ 336.172418 176.5
[M+H-H2O]+ 280.206520 166.6
[M+HCOO]- 342.207461 197.4
[M+CH3COO]- 356.223111 213.1
[M+Na-2H]- 318.183926 176.6
[M]+ 297.20871142 177.7
[M]- 297.20980858 177.7
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.