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 176.3
[M+Na]+ 342.13436 182.7
[M-H]- 318.13786 180.0
[M+NH4]+ 337.17896 191.5
[M+K]+ 358.10830 177.9
[M+H-H2O]+ 302.14240 168.3
[M+HCOO]- 364.14334 194.1
[M+CH3COO]- 378.15899 215.9
[M+Na-2H]- 340.11981 180.4
[M]+ 319.14459 181.1
[M]- 319.14569 181.1
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.