CID 3079122

Piperazine, 1-(2-chloro-6-methylphenyl)-4-(3-pyridinylcarbonyl)-, monohydrochloride

Structural Information

Molecular Formula
C17H18ClN3O
SMILES
CC1=C(C(=CC=C1)Cl)N2CCN(CC2)C(=O)C3=CN=CC=C3
InChI
InChI=1S/C17H18ClN3O/c1-13-4-2-6-15(18)16(13)20-8-10-21(11-9-20)17(22)14-5-3-7-19-12-14/h2-7,12H,8-11H2,1H3
InChIKey
PZGABNLAMYTDNH-UHFFFAOYSA-N
Compound name
[4-(2-chloro-6-methylphenyl)piperazin-1-yl]-pyridin-3-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.11383 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.12111 173.8
[M+Na]+ 338.10305 189.9
[M+NH4]+ 333.14765 181.8
[M+K]+ 354.07699 181.2
[M-H]- 314.10655 178.8
[M+Na-2H]- 336.08850 183.3
[M]+ 315.11328 177.9
[M]- 315.11438 177.9
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.