CID 3058684

Brn 0427629

Structural Information

Molecular Formula
C17H22N2O3
SMILES
CCOC(=O)C1=C(C2=CC=CC=C2N(C1=O)C)NCC(C)C
InChI
InChI=1S/C17H22N2O3/c1-5-22-17(21)14-15(18-10-11(2)3)12-8-6-7-9-13(12)19(4)16(14)20/h6-9,11,18H,5,10H2,1-4H3
InChIKey
VYSGRPRMVYGCNR-UHFFFAOYSA-N
Compound name
ethyl 1-methyl-4-(2-methylpropylamino)-2-oxoquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.16306 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.17034 171.1
[M+Na]+ 325.15228 183.3
[M+NH4]+ 320.19688 177.4
[M+K]+ 341.12622 177.3
[M-H]- 301.15578 172.6
[M+Na-2H]- 323.13773 175.3
[M]+ 302.16251 173.1
[M]- 302.16361 173.1
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.