CID 261309

Piperazine, 1-(2-methylphenyl)-4-(3-pyridinylcarbonyl)-

Structural Information

Molecular Formula
C17H19N3O
SMILES
CC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CN=CC=C3
InChI
InChI=1S/C17H19N3O/c1-14-5-2-3-7-16(14)19-9-11-20(12-10-19)17(21)15-6-4-8-18-13-15/h2-8,13H,9-12H2,1H3
InChIKey
JVKRTCJLWGSVTG-UHFFFAOYSA-N
Compound name
[4-(2-methylphenyl)piperazin-1-yl]-pyridin-3-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

281.1528 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.16008 168.2
[M+Na]+ 304.14202 173.5
[M-H]- 280.14552 172.8
[M+NH4]+ 299.18662 179.0
[M+K]+ 320.11596 168.4
[M+H-H2O]+ 264.15006 156.7
[M+HCOO]- 326.15100 183.7
[M+CH3COO]- 340.16665 177.5
[M+Na-2H]- 302.12747 171.4
[M]+ 281.15225 163.4
[M]- 281.15335 163.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.