CID 5273653

[3-(4'-bromo-biphenyl-4-yl)-3-thiophen-2-yl-allyl]-dimethyl-amine

Structural Information

Molecular Formula
C21H20BrNS
SMILES
CN(C)C/C=C(/C1=CC=C(C=C1)C2=CC=C(C=C2)Br)\C3=CC=CS3
InChI
InChI=1S/C21H20BrNS/c1-23(2)14-13-20(21-4-3-15-24-21)18-7-5-16(6-8-18)17-9-11-19(22)12-10-17/h3-13,15H,14H2,1-2H3/b20-13-
InChIKey
DUIOZGLIOOUAJF-MOSHPQCFSA-N
Compound name
(Z)-3-[4-(4-bromophenyl)phenyl]-N,N-dimethyl-3-thiophen-2-ylprop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

397.05 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.05728 184.4
[M+Na]+ 420.03922 194.3
[M-H]- 396.04272 197.6
[M+NH4]+ 415.08382 202.1
[M+K]+ 436.01316 181.1
[M+H-H2O]+ 380.04726 182.8
[M+HCOO]- 442.04820 202.1
[M+CH3COO]- 456.06385 197.3
[M+Na-2H]- 418.02467 184.6
[M]+ 397.04945 205.1
[M]- 397.05055 205.1
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.