CID 3064276

2-((7-chloro-4-quinolylamino)acetyl)piperidine

Structural Information

Molecular Formula
C16H18ClN3O
SMILES
C1CCNC(C1)C(=O)CNC2=C3C=CC(=CC3=NC=C2)Cl
InChI
InChI=1S/C16H18ClN3O/c17-11-4-5-12-13(6-8-19-15(12)9-11)20-10-16(21)14-3-1-2-7-18-14/h4-6,8-9,14,18H,1-3,7,10H2,(H,19,20)
InChIKey
FLCCMAGZYJPGGD-UHFFFAOYSA-N
Compound name
2-[(7-chloroquinolin-4-yl)amino]-1-piperidin-2-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.11383 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.12111 168.6
[M+Na]+ 326.10305 173.9
[M-H]- 302.10655 170.7
[M+NH4]+ 321.14765 181.2
[M+K]+ 342.07699 167.0
[M+H-H2O]+ 286.11109 159.6
[M+HCOO]- 348.11203 179.4
[M+CH3COO]- 362.12768 177.3
[M+Na-2H]- 324.08850 172.9
[M]+ 303.11328 164.4
[M]- 303.11438 164.4
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.