CID 3044160

Pyridine, 2-((m-bromobenzyl)(2-(diethylamino)ethyl)amino)-

Structural Information

Molecular Formula
C16H18BrN3
SMILES
C1CN(C(CN1)CC2=CC(=CC=C2)Br)C3=CC=CC=N3
InChI
InChI=1S/C16H18BrN3/c17-14-5-3-4-13(10-14)11-15-12-18-8-9-20(15)16-6-1-2-7-19-16/h1-7,10,15,18H,8-9,11-12H2
InChIKey
IFBQNLXPDHIILO-UHFFFAOYSA-N
Compound name
2-[(3-bromophenyl)methyl]-1-pyridin-2-ylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.06842 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.07570 170.2
[M+Na]+ 354.05764 178.3
[M-H]- 330.06114 175.9
[M+NH4]+ 349.10224 182.7
[M+K]+ 370.03158 164.7
[M+H-H2O]+ 314.06568 166.9
[M+HCOO]- 376.06662 183.4
[M+CH3COO]- 390.08227 180.8
[M+Na-2H]- 352.04309 175.7
[M]+ 331.06787 182.6
[M]- 331.06897 182.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.