CID 3060387

Brn 4516820

Structural Information

Molecular Formula
C15H17BrN4
SMILES
C1CN(CCN1C2=CC(=CC=C2)Br)C3=C(C=NC=C3)N
InChI
InChI=1S/C15H17BrN4/c16-12-2-1-3-13(10-12)19-6-8-20(9-7-19)15-4-5-18-11-14(15)17/h1-5,10-11H,6-9,17H2
InChIKey
KJRWDVLMAUJNIA-UHFFFAOYSA-N
Compound name
4-[4-(3-bromophenyl)piperazin-1-yl]pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.06366 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.07094 169.4
[M+Na]+ 355.05288 178.3
[M-H]- 331.05638 176.4
[M+NH4]+ 350.09748 182.2
[M+K]+ 371.02682 165.1
[M+H-H2O]+ 315.06092 165.6
[M+HCOO]- 377.06186 184.7
[M+CH3COO]- 391.07751 180.6
[M+Na-2H]- 353.03833 174.7
[M]+ 332.06311 182.0
[M]- 332.06421 182.0
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.