CID 868762

Piperazine, 1-(2,3-dimethylphenyl)-4-(3-pyridinylcarbonyl)-, dihydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

3
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 172.5
[M+Na]+ 318.15768 187.5
[M+NH4]+ 313.20228 180.0
[M+K]+ 334.13162 179.5
[M-H]- 294.16118 177.4
[M+Na-2H]- 316.14313 181.6
[M]+ 295.16791 176.1
[M]- 295.16901 176.1
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.