CID 6437584

2-propen-1-amine, 3-(p-bromophenyl)-n,n-dimethyl-3-phenyl-, hydrochloride

Structural Information

Molecular Formula
C17H18BrN
SMILES
CN(C)C/C=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)Br
InChI
InChI=1S/C17H18BrN/c1-19(2)13-12-17(14-6-4-3-5-7-14)15-8-10-16(18)11-9-15/h3-12H,13H2,1-2H3/b17-12+
InChIKey
MGBSDGALFWLSHP-SFQUDFHCSA-N
Compound name
(E)-3-(4-bromophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.06226 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.06954 163.0
[M+Na]+ 338.05148 167.6
[M+NH4]+ 333.09608 168.6
[M+K]+ 354.02542 165.4
[M-H]- 314.05498 167.0
[M+Na-2H]- 336.03693 169.4
[M]+ 315.06171 163.8
[M]- 315.06281 163.8
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.