CID 3063578

Piperazine, 1-acetyl-4-(2-quinolinyl)-, monohydrochloride

Structural Information

Molecular Formula
C15H17N3O
SMILES
CC(=O)N1CCN(CC1)C2=NC3=CC=CC=C3C=C2
InChI
InChI=1S/C15H17N3O/c1-12(19)17-8-10-18(11-9-17)15-7-6-13-4-2-3-5-14(13)16-15/h2-7H,8-11H2,1H3
InChIKey
CMZXBPWZEXDHRA-UHFFFAOYSA-N
Compound name
1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

255.13716 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.144436 160.6
[M+Na]+ 278.126378 167.0
[M-H]- 254.129884 163.2
[M+NH4]+ 273.170983 173.9
[M+K]+ 294.100318 162.3
[M+H-H2O]+ 238.134420 150.3
[M+HCOO]- 300.135361 175.3
[M+CH3COO]- 314.151011 170.5
[M+Na-2H]- 276.111826 165.6
[M]+ 255.13661142 156.6
[M]- 255.13770858 156.6
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.