CID 53408270

1-benzyl-4-(6-chloropyridin-2-yl)piperazine

Structural Information

Molecular Formula
C16H18ClN3
SMILES
C1CN(CCN1CC2=CC=CC=C2)C3=NC(=CC=C3)Cl
InChI
InChI=1S/C16H18ClN3/c17-15-7-4-8-16(18-15)20-11-9-19(10-12-20)13-14-5-2-1-3-6-14/h1-8H,9-13H2
InChIKey
DTLVTCSIZOCIED-UHFFFAOYSA-N
Compound name
1-benzyl-4-(6-chloro-2-pyridinyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.11893 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.126206 167.4
[M+Na]+ 310.108148 173.8
[M-H]- 286.111654 171.4
[M+NH4]+ 305.152753 178.9
[M+K]+ 326.082088 166.9
[M+H-H2O]+ 270.116190 156.0
[M+HCOO]- 332.117131 179.1
[M+CH3COO]- 346.132781 176.7
[M+Na-2H]- 308.093596 171.6
[M]+ 287.11838142 164.3
[M]- 287.11947858 164.3
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.