CID 5365247

Zimeldine

Structural Information

Molecular Formula
C16H17BrN2
SMILES
CN(C)C/C=C(/C1=CC=C(C=C1)Br)\C2=CN=CC=C2
InChI
InChI=1S/C16H17BrN2/c1-19(2)11-9-16(14-4-3-10-18-12-14)13-5-7-15(17)8-6-13/h3-10,12H,11H2,1-2H3/b16-9-
InChIKey
OYPPVKRFBIWMSX-SXGWCWSVSA-N
Compound name
(Z)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

556
References

7546
Patents

316.0575 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.06478 162.8
[M+Na]+ 339.04672 167.4
[M+NH4]+ 334.09132 167.8
[M+K]+ 355.02066 165.6
[M-H]- 315.05022 166.1
[M+Na-2H]- 337.03217 169.0
[M]+ 316.05695 163.3
[M]- 316.05805 163.3
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

patents stripe