CID 5342718

305351-54-6

Structural Information

Molecular Formula
C16H17BrN4
SMILES
C1CN(CCN1C2=CC=CC=N2)/N=C/C3=CC=C(C=C3)Br
InChI
InChI=1S/C16H17BrN4/c17-15-6-4-14(5-7-15)13-19-21-11-9-20(10-12-21)16-3-1-2-8-18-16/h1-8,13H,9-12H2/b19-13+
InChIKey
WXZJXFSHOLVUHW-CPNJWEJPSA-N
Compound name
(E)-1-(4-bromophenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.06366 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.07094 171.0
[M+Na]+ 367.05288 179.4
[M-H]- 343.05638 179.2
[M+NH4]+ 362.09748 183.9
[M+K]+ 383.02682 166.6
[M+H-H2O]+ 327.06092 166.6
[M+HCOO]- 389.06186 188.1
[M+CH3COO]- 403.07751 182.4
[M+Na-2H]- 365.03833 177.9
[M]+ 344.06311 185.4
[M]- 344.06421 185.4
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.