CID 491473

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

Structural Information

Molecular Formula
C23H22BrN
SMILES
CN(C)CC=C(C1=CC=CC=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)Br
InChI
InChI=1S/C23H22BrN/c1-25(2)17-16-23(20-6-4-3-5-7-20)21-10-8-18(9-11-21)19-12-14-22(24)15-13-19/h3-16H,17H2,1-2H3
InChIKey
IYLTUBLSLDSKPC-UHFFFAOYSA-N
Compound name
3-[4-(4-bromophenyl)phenyl]-N,N-dimethyl-3-phenylprop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

391.09357 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.10085 190.3
[M+Na]+ 414.08279 197.8
[M-H]- 390.08629 202.3
[M+NH4]+ 409.12739 205.1
[M+K]+ 430.05673 184.9
[M+H-H2O]+ 374.09083 187.0
[M+HCOO]- 436.09177 210.7
[M+CH3COO]- 450.10742 222.2
[M+Na-2H]- 412.06824 193.3
[M]+ 391.09302 208.0
[M]- 391.09412 208.0
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.