CID 466890

Ethyl 6-acetamido-2-cyano-2h-quinoline-1-carboxylate

Structural Information

Molecular Formula
C15H15N3O3
SMILES
CCOC(=O)N1C(C=CC2=C1C=CC(=C2)NC(=O)C)C#N
InChI
InChI=1S/C15H15N3O3/c1-3-21-15(20)18-13(9-16)6-4-11-8-12(17-10(2)19)5-7-14(11)18/h4-8,13H,3H2,1-2H3,(H,17,19)
InChIKey
PWAIEYVGHRQAPR-UHFFFAOYSA-N
Compound name
ethyl 6-acetamido-2-cyano-2H-quinoline-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

285.11133 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.11861 167.0
[M+Na]+ 308.10055 176.0
[M-H]- 284.10405 169.1
[M+NH4]+ 303.14515 180.5
[M+K]+ 324.07449 171.8
[M+H-H2O]+ 268.10859 152.9
[M+HCOO]- 330.10953 183.1
[M+CH3COO]- 344.12518 213.7
[M+Na-2H]- 306.08600 169.6
[M]+ 285.11078 163.1
[M]- 285.11188 163.1
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

No patent data available for this compound.