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]+ 247.10773 154.3
[M+Na]+ 269.08967 161.3
[M-H]- 245.09317 156.9
[M+NH4]+ 264.13427 170.8
[M+K]+ 285.06361 158.9
[M+H-H2O]+ 229.09771 146.9
[M+HCOO]- 291.09865 174.1
[M+CH3COO]- 305.11430 195.4
[M+Na-2H]- 267.07512 158.3
[M]+ 246.09990 154.1
[M]- 246.10100 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.