CID 47003333

2-{4-[2-(pyridin-4-yl)ethyl]piperazin-1-yl}aniline

Structural Information

Molecular Formula
C17H22N4
SMILES
C1CN(CCN1CCC2=CC=NC=C2)C3=CC=CC=C3N
InChI
InChI=1S/C17H22N4/c18-16-3-1-2-4-17(16)21-13-11-20(12-14-21)10-7-15-5-8-19-9-6-15/h1-6,8-9H,7,10-14,18H2
InChIKey
VVRLMBAHVDYVLI-UHFFFAOYSA-N
Compound name
2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.18445 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.19173 169.3
[M+Na]+ 305.17367 173.9
[M-H]- 281.17717 173.2
[M+NH4]+ 300.21827 179.7
[M+K]+ 321.14761 167.8
[M+H-H2O]+ 265.18171 157.6
[M+HCOO]- 327.18265 185.9
[M+CH3COO]- 341.19830 178.0
[M+Na-2H]- 303.15912 173.4
[M]+ 282.18390 163.0
[M]- 282.18500 163.0
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.