CID 466891

Ethyl 2-cyano-6-(ethoxycarbonylamino)-2h-quinoline-1-carboxylate

Structural Information

Molecular Formula
C16H17N3O4
SMILES
CCOC(=O)NC1=CC2=C(C=C1)N(C(C=C2)C#N)C(=O)OCC
InChI
InChI=1S/C16H17N3O4/c1-3-22-15(20)18-12-6-8-14-11(9-12)5-7-13(10-17)19(14)16(21)23-4-2/h5-9,13H,3-4H2,1-2H3,(H,18,20)
InChIKey
PDKPMWIOGXEDMO-UHFFFAOYSA-N
Compound name
ethyl 2-cyano-6-(ethoxycarbonylamino)-2H-quinoline-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

315.12192 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.12920 173.0
[M+Na]+ 338.11114 181.5
[M-H]- 314.11464 174.9
[M+NH4]+ 333.15574 185.4
[M+K]+ 354.08508 177.8
[M+H-H2O]+ 298.11918 158.6
[M+HCOO]- 360.12012 189.1
[M+CH3COO]- 374.13577 217.8
[M+Na-2H]- 336.09659 175.4
[M]+ 315.12137 170.6
[M]- 315.12247 170.6
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.