CID 3075430

Ethyl alpha-cyano-4-(4-morpholinylcarbonyl)-2-quinolineacetate

Structural Information

Molecular Formula
C19H19N3O4
SMILES
CCOC(=O)C(C#N)C1=NC2=CC=CC=C2C(=C1)C(=O)N3CCOCC3
InChI
InChI=1S/C19H19N3O4/c1-2-26-19(24)15(12-20)17-11-14(13-5-3-4-6-16(13)21-17)18(23)22-7-9-25-10-8-22/h3-6,11,15H,2,7-10H2,1H3
InChIKey
FSPCNIATCQGCQS-UHFFFAOYSA-N
Compound name
ethyl 2-cyano-2-[4-(morpholine-4-carbonyl)quinolin-2-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.13754 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.14482 181.1
[M+Na]+ 376.12676 187.5
[M-H]- 352.13026 183.2
[M+NH4]+ 371.17136 188.5
[M+K]+ 392.10070 183.0
[M+H-H2O]+ 336.13480 164.3
[M+HCOO]- 398.13574 190.7
[M+CH3COO]- 412.15139 221.7
[M+Na-2H]- 374.11221 182.2
[M]+ 353.13699 175.2
[M]- 353.13809 175.2
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

No patent data available for this compound.