CID 466933

Ethyl 2-carbamoyl-2h-quinoline-1-carboxylate

Structural Information

Molecular Formula
C13H14N2O3
SMILES
CCOC(=O)N1C(C=CC2=CC=CC=C21)C(=O)N
InChI
InChI=1S/C13H14N2O3/c1-2-18-13(17)15-10-6-4-3-5-9(10)7-8-11(15)12(14)16/h3-8,11H,2H2,1H3,(H2,14,16)
InChIKey
CYEVJJYUTCTPOT-UHFFFAOYSA-N
Compound name
ethyl 2-carbamoyl-2H-quinoline-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

246.10045 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.107726 154.3
[M+Na]+ 269.089668 161.3
[M-H]- 245.093174 156.9
[M+NH4]+ 264.134273 170.8
[M+K]+ 285.063608 158.9
[M+H-H2O]+ 229.097710 146.9
[M+HCOO]- 291.098651 174.1
[M+CH3COO]- 305.114301 195.4
[M+Na-2H]- 267.075116 158.3
[M]+ 246.09990142 154.1
[M]- 246.10099858 154.1
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.