CID 3063580

Piperazine, 1-glycyl-4-(2-quinolyl)-, maleate

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]+ 271.155346 164.1
[M+Na]+ 293.137288 169.7
[M-H]- 269.140794 166.2
[M+NH4]+ 288.181893 176.3
[M+K]+ 309.111228 164.7
[M+H-H2O]+ 253.145330 153.7
[M+HCOO]- 315.146271 179.3
[M+CH3COO]- 329.161921 173.3
[M+Na-2H]- 291.122736 168.8
[M]+ 270.14752142 158.6
[M]- 270.14861858 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.