CID 45331

2-(p-bromophenyl-(p'-tolyl)methoxy)-n,n-dimethylethylamine hydrochloride

Structural Information

Molecular Formula
C18H22BrNO
SMILES
CC1=CC=C(C=C1)C(C2=CC=C(C=C2)Br)OCCN(C)C
InChI
InChI=1S/C18H22BrNO/c1-14-4-6-15(7-5-14)18(21-13-12-20(2)3)16-8-10-17(19)11-9-16/h4-11,18H,12-13H2,1-3H3
InChIKey
PENMVPDWHVWJAC-UHFFFAOYSA-N
Compound name
2-[(4-bromophenyl)-(4-methylphenyl)methoxy]-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

347.08847 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.09575 177.0
[M+Na]+ 370.07769 185.3
[M-H]- 346.08119 186.7
[M+NH4]+ 365.12229 194.2
[M+K]+ 386.05163 174.3
[M+H-H2O]+ 330.08573 174.5
[M+HCOO]- 392.08667 197.9
[M+CH3COO]- 406.10232 215.5
[M+Na-2H]- 368.06314 180.4
[M]+ 347.08792 197.8
[M]- 347.08902 197.8
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.