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]+ 256.14444 160.6
[M+Na]+ 278.12638 167.0
[M-H]- 254.12988 163.2
[M+NH4]+ 273.17098 173.9
[M+K]+ 294.10032 162.3
[M+H-H2O]+ 238.13442 150.3
[M+HCOO]- 300.13536 175.3
[M+CH3COO]- 314.15101 170.5
[M+Na-2H]- 276.11183 165.6
[M]+ 255.13661 156.6
[M]- 255.13771 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.