CID 3058685

75483-10-2

Structural Information

Molecular Formula
C20H20N2O3
SMILES
CCOC(=O)C1=C(C2=CC=CC=C2N(C1=O)C)NC3=CC=C(C=C3)C
InChI
InChI=1S/C20H20N2O3/c1-4-25-20(24)17-18(21-14-11-9-13(2)10-12-14)15-7-5-6-8-16(15)22(3)19(17)23/h5-12,21H,4H2,1-3H3
InChIKey
NKGZTIUJGNWZKX-UHFFFAOYSA-N
Compound name
ethyl 1-methyl-4-(4-methylanilino)-2-oxoquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.1474 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.154676 179.7
[M+Na]+ 359.136618 188.6
[M-H]- 335.140124 186.6
[M+NH4]+ 354.181223 193.0
[M+K]+ 375.110558 183.9
[M+H-H2O]+ 319.144660 170.2
[M+HCOO]- 381.145601 201.2
[M+CH3COO]- 395.161251 216.2
[M+Na-2H]- 357.122066 183.4
[M]+ 336.14685142 183.4
[M]- 336.14794858 183.4
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.