CID 3061905

80008-09-9

Structural Information

Molecular Formula
C17H22ClN3O
SMILES
CCCN(CCC)C(=O)CNC1=C2C=CC(=CC2=NC=C1)Cl
InChI
InChI=1S/C17H22ClN3O/c1-3-9-21(10-4-2)17(22)12-20-15-7-8-19-16-11-13(18)5-6-14(15)16/h5-8,11H,3-4,9-10,12H2,1-2H3,(H,19,20)
InChIKey
TZQXWVPSBBTKLR-UHFFFAOYSA-N
Compound name
2-[(7-chloroquinolin-4-yl)amino]-N,N-dipropylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.14514 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.15242 175.4
[M+Na]+ 342.13436 187.9
[M+NH4]+ 337.17896 183.2
[M+K]+ 358.10830 179.6
[M-H]- 318.13786 178.8
[M+Na-2H]- 340.11981 181.4
[M]+ 319.14459 178.3
[M]- 319.14569 178.3
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.