CID 20113257

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

Structural Information

Molecular Formula
C16H20N4
SMILES
C1CN(CCN1CC2=CC=C(C=C2)N)C3=CC=CC=N3
InChI
InChI=1S/C16H20N4/c17-15-6-4-14(5-7-15)13-19-9-11-20(12-10-19)16-3-1-2-8-18-16/h1-8H,9-13,17H2
InChIKey
ALWICBCNMAZLTJ-UHFFFAOYSA-N
Compound name
4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.1688 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.17608 165.0
[M+Na]+ 291.15802 170.1
[M-H]- 267.16152 169.1
[M+NH4]+ 286.20262 176.0
[M+K]+ 307.13196 164.2
[M+H-H2O]+ 251.16606 153.5
[M+HCOO]- 313.16700 182.0
[M+CH3COO]- 327.18265 174.2
[M+Na-2H]- 289.14347 169.6
[M]+ 268.16825 158.4
[M]- 268.16935 158.4
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.