CID 3063582

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

Structural Information

Molecular Formula
C17H22N4O
SMILES
C1CN(CCN1C2=NC3=CC=CC=C3C=C2)C(=O)CCCN
InChI
InChI=1S/C17H22N4O/c18-9-3-6-17(22)21-12-10-20(11-13-21)16-8-7-14-4-1-2-5-15(14)19-16/h1-2,4-5,7-8H,3,6,9-13,18H2
InChIKey
VKHJYYKFQKSQAP-UHFFFAOYSA-N
Compound name
4-amino-1-(4-quinolin-2-ylpiperazin-1-yl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.17935 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.186626 172.9
[M+Na]+ 321.168568 177.5
[M-H]- 297.172074 174.5
[M+NH4]+ 316.213173 183.8
[M+K]+ 337.142508 172.0
[M+H-H2O]+ 281.176610 162.0
[M+HCOO]- 343.177551 187.4
[M+CH3COO]- 357.193201 181.1
[M+Na-2H]- 319.154016 176.5
[M]+ 298.17880142 168.0
[M]- 298.17989858 168.0
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.