CID 3061906

3-(7-chloro-4-quinolylamino)-n,n-dimethylpropionamide

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.10546 162.4
[M+Na]+ 300.08740 170.1
[M-H]- 276.09090 166.7
[M+NH4]+ 295.13200 179.3
[M+K]+ 316.06134 166.0
[M+H-H2O]+ 260.09544 155.0
[M+HCOO]- 322.09638 181.3
[M+CH3COO]- 336.11203 207.0
[M+Na-2H]- 298.07285 168.1
[M]+ 277.09763 166.2
[M]- 277.09873 166.2
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

patents stripe