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-chloropyridin-2-yl)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]+ 288.12621 167.4
[M+Na]+ 310.10815 173.8
[M-H]- 286.11165 171.4
[M+NH4]+ 305.15275 178.9
[M+K]+ 326.08209 166.9
[M+H-H2O]+ 270.11619 156.0
[M+HCOO]- 332.11713 179.1
[M+CH3COO]- 346.13278 176.7
[M+Na-2H]- 308.09360 171.6
[M]+ 287.11838 164.3
[M]- 287.11948 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.