CID 3045005

Piperazine, 1-(o-chlorophenyl)-4-nicotinoylmethyl-

Structural Information

Molecular Formula
C17H18ClN3O
SMILES
C1CN(CCN1CC(=O)C2=CN=CC=C2)C3=CC=CC=C3Cl
InChI
InChI=1S/C17H18ClN3O/c18-15-5-1-2-6-16(15)21-10-8-20(9-11-21)13-17(22)14-4-3-7-19-12-14/h1-7,12H,8-11,13H2
InChIKey
GBQKNJRLFPNMDY-UHFFFAOYSA-N
Compound name
2-[4-(2-chlorophenyl)piperazin-1-yl]-1-pyridin-3-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.11383 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.121106 173.3
[M+Na]+ 338.103048 179.2
[M-H]- 314.106554 177.5
[M+NH4]+ 333.147653 183.5
[M+K]+ 354.076988 172.6
[M+H-H2O]+ 298.111090 161.9
[M+HCOO]- 360.112031 184.1
[M+CH3COO]- 374.127681 182.1
[M+Na-2H]- 336.088496 176.1
[M]+ 315.11328142 170.8
[M]- 315.11437858 170.8
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.