CID 3063580

101153-50-8

Structural Information

Molecular Formula
C15H18N4O
SMILES
C1CN(CCN1C2=NC3=CC=CC=C3C=C2)C(=O)CN
InChI
InChI=1S/C15H18N4O/c16-11-15(20)19-9-7-18(8-10-19)14-6-5-12-3-1-2-4-13(12)17-14/h1-6H,7-11,16H2
InChIKey
CYEQZOSGCHHTIL-UHFFFAOYSA-N
Compound name
2-amino-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.14807 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.15535 163.6
[M+Na]+ 293.13729 176.3
[M+NH4]+ 288.18189 171.1
[M+K]+ 309.11123 169.4
[M-H]- 269.14079 167.0
[M+Na-2H]- 291.12274 170.3
[M]+ 270.14752 166.2
[M]- 270.14862 166.2
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.