CID 3044160

Wv 679

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 171.4
[M+Na]+ 354.05764 176.6
[M+NH4]+ 349.10224 175.9
[M+K]+ 370.03158 174.2
[M-H]- 330.06114 174.5
[M+Na-2H]- 352.04309 177.3
[M]+ 331.06787 171.9
[M]- 331.06897 171.9
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.