CID 6476755

(z)-3-[4-(4-bromophenyl)phenyl]-n,n-dimethyl-3-(4-methylsulfonylphenyl)prop-2-en-1-amine

Structural Information

Molecular Formula
C24H24BrNO2S
SMILES
CN(C)C/C=C(/C1=CC=C(C=C1)C2=CC=C(C=C2)Br)\C3=CC=C(C=C3)S(=O)(=O)C
InChI
InChI=1S/C24H24BrNO2S/c1-26(2)17-16-24(21-10-14-23(15-11-21)29(3,27)28)20-6-4-18(5-7-20)19-8-12-22(25)13-9-19/h4-16H,17H2,1-3H3/b24-16-
InChIKey
OJTYDFMTDQTNSM-JLPGSUDCSA-N
Compound name
(Z)-3-[4-(4-bromophenyl)phenyl]-N,N-dimethyl-3-(4-methylsulfonylphenyl)prop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

469.0711 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.07838 197.3
[M+Na]+ 492.06032 206.3
[M-H]- 468.06382 209.9
[M+NH4]+ 487.10492 210.1
[M+K]+ 508.03426 193.0
[M+H-H2O]+ 452.06836 194.4
[M+HCOO]- 514.06930 212.1
[M+CH3COO]- 528.08495 232.1
[M+Na-2H]- 490.04577 199.2
[M]+ 469.07055 218.9
[M]- 469.07165 218.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.