CID 3063582

1-(4-aminobutyryl)-4-(2-quinolyl)piperazine 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]+ 299.18663 172.9
[M+Na]+ 321.16857 177.5
[M-H]- 297.17207 174.5
[M+NH4]+ 316.21317 183.8
[M+K]+ 337.14251 172.0
[M+H-H2O]+ 281.17661 162.0
[M+HCOO]- 343.17755 187.4
[M+CH3COO]- 357.19320 181.1
[M+Na-2H]- 319.15402 176.5
[M]+ 298.17880 168.0
[M]- 298.17990 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.