CID 24706367

6-(4-phenylpiperazin-1-yl)pyridine-3-carboximidamide trihydrochloride

Structural Information

Molecular Formula
C16H19N5
SMILES
C1CN(CCN1C2=CC=CC=C2)C3=NC=C(C=C3)C(=N)N
InChI
InChI=1S/C16H19N5/c17-16(18)13-6-7-15(19-12-13)21-10-8-20(9-11-21)14-4-2-1-3-5-14/h1-7,12H,8-11H2,(H3,17,18)
InChIKey
UKIJUFIFFKYHSH-UHFFFAOYSA-N
Compound name
6-(4-phenylpiperazin-1-yl)pyridine-3-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.16403 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.17131 166.9
[M+Na]+ 304.15325 171.2
[M-H]- 280.15675 171.2
[M+NH4]+ 299.19785 176.9
[M+K]+ 320.12719 165.2
[M+H-H2O]+ 264.16129 155.5
[M+HCOO]- 326.16223 184.2
[M+CH3COO]- 340.17788 175.6
[M+Na-2H]- 302.13870 171.2
[M]+ 281.16348 158.5
[M]- 281.16458 158.5
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.