CID 3075654

Ethyl alpha-cyano-4-((diethylamino)carbonyl)-2-quinolineacetate

Structural Information

Molecular Formula
C19H21N3O3
SMILES
CCN(CC)C(=O)C1=CC(=NC2=CC=CC=C21)C(C#N)C(=O)OCC
InChI
InChI=1S/C19H21N3O3/c1-4-22(5-2)18(23)14-11-17(15(12-20)19(24)25-6-3)21-16-10-8-7-9-13(14)16/h7-11,15H,4-6H2,1-3H3
InChIKey
NGNUSFJQSFZBSF-UHFFFAOYSA-N
Compound name
ethyl 2-cyano-2-[4-(diethylcarbamoyl)quinolin-2-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.1583 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.165576 183.4
[M+Na]+ 362.147518 190.5
[M-H]- 338.151024 185.9
[M+NH4]+ 357.192123 195.0
[M+K]+ 378.121458 187.0
[M+H-H2O]+ 322.155560 168.2
[M+HCOO]- 384.156501 199.0
[M+CH3COO]- 398.172151 227.3
[M+Na-2H]- 360.132966 183.8
[M]+ 339.15775142 182.1
[M]- 339.15884858 182.1
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.