CID 57909

2-(7-chloro-4-quinolylamino)-1-piperidino-1-butanone monohydrochloride

Structural Information

Molecular Formula
C18H22ClN3O
SMILES
CCC(C(=O)N1CCCCC1)NC2=C3C=CC(=CC3=NC=C2)Cl
InChI
InChI=1S/C18H22ClN3O/c1-2-15(18(23)22-10-4-3-5-11-22)21-16-8-9-20-17-12-13(19)6-7-14(16)17/h6-9,12,15H,2-5,10-11H2,1H3,(H,20,21)
InChIKey
DANPKOQFKRFYTR-UHFFFAOYSA-N
Compound name
2-[(7-chloroquinolin-4-yl)amino]-1-piperidin-1-ylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.14514 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.15242 177.9
[M+Na]+ 354.13436 182.4
[M-H]- 330.13786 181.0
[M+NH4]+ 349.17896 189.9
[M+K]+ 370.10830 176.4
[M+H-H2O]+ 314.14240 168.3
[M+HCOO]- 376.14334 188.4
[M+CH3COO]- 390.15899 186.2
[M+Na-2H]- 352.11981 180.3
[M]+ 331.14459 175.5
[M]- 331.14569 175.5
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.