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 164.1
[M+Na]+ 293.13729 169.7
[M-H]- 269.14079 166.2
[M+NH4]+ 288.18189 176.3
[M+K]+ 309.11123 164.7
[M+H-H2O]+ 253.14533 153.7
[M+HCOO]- 315.14627 179.3
[M+CH3COO]- 329.16192 173.3
[M+Na-2H]- 291.12274 168.8
[M]+ 270.14752 158.6
[M]- 270.14862 158.6
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.