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]+ 340.16558 183.4
[M+Na]+ 362.14752 190.5
[M-H]- 338.15102 185.9
[M+NH4]+ 357.19212 195.0
[M+K]+ 378.12146 187.0
[M+H-H2O]+ 322.15556 168.2
[M+HCOO]- 384.15650 199.0
[M+CH3COO]- 398.17215 227.3
[M+Na-2H]- 360.13297 183.8
[M]+ 339.15775 182.1
[M]- 339.15885 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.