CID 11358234

N-(4-chloro-3-cyano-7-ethoxy-6-quinolinyl)acetamide

Structural Information

Molecular Formula
C14H12ClN3O2
SMILES
CCOC1=C(C=C2C(=C1)N=CC(=C2Cl)C#N)NC(=O)C
InChI
InChI=1S/C14H12ClN3O2/c1-3-20-13-5-11-10(4-12(13)18-8(2)19)14(15)9(6-16)7-17-11/h4-5,7H,3H2,1-2H3,(H,18,19)
InChIKey
XDXGFTCQRAQEEG-UHFFFAOYSA-N
Compound name
N-(4-chloro-3-cyano-7-ethoxyquinolin-6-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

289.0618 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.06908 165.1
[M+Na]+ 312.05102 177.0
[M-H]- 288.05452 167.7
[M+NH4]+ 307.09562 179.8
[M+K]+ 328.02496 170.8
[M+H-H2O]+ 272.05906 152.1
[M+HCOO]- 334.06000 179.3
[M+CH3COO]- 348.07565 214.2
[M+Na-2H]- 310.03647 169.0
[M]+ 289.06125 164.5
[M]- 289.06235 164.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe