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

66
Patents

347.08847 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.095746 177.0
[M+Na]+ 370.077688 185.3
[M-H]- 346.081194 186.7
[M+NH4]+ 365.122293 194.2
[M+K]+ 386.051628 174.3
[M+H-H2O]+ 330.085730 174.5
[M+HCOO]- 392.086671 197.9
[M+CH3COO]- 406.102321 215.5
[M+Na-2H]- 368.063136 180.4
[M]+ 347.08792142 197.8
[M]- 347.08901858 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.