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 170.9
[M+Na]+ 325.15228 178.9
[M-H]- 301.15578 174.4
[M+NH4]+ 320.19688 186.0
[M+K]+ 341.12622 175.8
[M+H-H2O]+ 285.16032 163.1
[M+HCOO]- 347.16126 191.3
[M+CH3COO]- 361.17691 210.9
[M+Na-2H]- 323.13773 173.4
[M]+ 302.16251 175.4
[M]- 302.16361 175.4
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.