CID 3079124

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

Structural Information

Molecular Formula
C18H21N3O
SMILES
CC1=C(C(=CC=C1)C)N2CCN(CC2)C(=O)C3=CN=CC=C3
InChI
InChI=1S/C18H21N3O/c1-14-5-3-6-15(2)17(14)20-9-11-21(12-10-20)18(22)16-7-4-8-19-13-16/h3-8,13H,9-12H2,1-2H3
InChIKey
YNRQJYKWYRGGTK-UHFFFAOYSA-N
Compound name
[4-(2,6-dimethylphenyl)piperazin-1-yl]-pyridin-3-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.16846 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.17574 172.9
[M+Na]+ 318.15768 178.8
[M-H]- 294.16118 177.8
[M+NH4]+ 313.20228 183.5
[M+K]+ 334.13162 173.5
[M+H-H2O]+ 278.16572 161.5
[M+HCOO]- 340.16666 188.1
[M+CH3COO]- 354.18231 182.2
[M+Na-2H]- 316.14313 174.9
[M]+ 295.16791 169.0
[M]- 295.16901 169.0
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.