CID 3058683

Brn 0423473

Structural Information

Molecular Formula
C16H20N2O3
SMILES
CCOC(=O)C1=C(C2=CC=CC=C2N(C1=O)C)NC(C)C
InChI
InChI=1S/C16H20N2O3/c1-5-21-16(20)13-14(17-10(2)3)11-8-6-7-9-12(11)18(4)15(13)19/h6-10,17H,5H2,1-4H3
InChIKey
GHRGOXLGADAZRY-UHFFFAOYSA-N
Compound name
ethyl 1-methyl-2-oxo-4-(propan-2-ylamino)quinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.1474 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.15468 166.6
[M+Na]+ 311.13662 179.0
[M+NH4]+ 306.18122 173.1
[M+K]+ 327.11056 173.2
[M-H]- 287.14012 168.1
[M+Na-2H]- 309.12207 171.1
[M]+ 288.14685 168.6
[M]- 288.14795 168.6
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.