CID 6834

Brompheniramine

Structural Information

Molecular Formula
C16H19BrN2
SMILES
CN(C)CCC(C1=CC=C(C=C1)Br)C2=CC=CC=N2
InChI
InChI=1S/C16H19BrN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3
InChIKey
ZDIGNSYAACHWNL-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

415
References

21738
Patents

318.07315 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.08043 164.2
[M+Na]+ 341.06237 168.6
[M+NH4]+ 336.10697 169.4
[M+K]+ 357.03631 166.9
[M-H]- 317.06587 167.7
[M+Na-2H]- 339.04782 170.4
[M]+ 318.07260 164.7
[M]- 318.07370 164.7
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