CID 3061906

80008-13-5

Structural Information

Molecular Formula

C₁₄H₁₆ClN₃O

SMILES

CN(C)C(=O)CCNC1=C2C=CC(=CC2=NC=C1)Cl

InChI

InChI=1S/C14H16ClN3O/c1-18(2)14(19)6-8-16-12-5-7-17-13-9-10(15)3-4-11(12)13/h3-5,7,9H,6,8H2,1-2H3,(H,16,17)

InChIKey

DTWBXSUTUZXLEE-UHFFFAOYSA-N

Compound name

3-[(7-chloroquinolin-4-yl)amino]-N,N-dimethylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 277.09818 Da
Monoisotopic Mass: 2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	278.105456	162.4
[M+Na]+	300.087398	170.1
[M-H]-	276.090904	166.7
[M+NH4]+	295.132003	179.3
[M+K]+	316.061338	166.0
[M+H-H2O]+	260.095440	155.0
[M+HCOO]-	322.096381	181.3
[M+CH3COO]-	336.112031	207.0
[M+Na-2H]-	298.072846	168.1
[M]+	277.09763142	166.2
[M]-	277.09872858	166.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe