CID 3058686

Brn 0446632

Structural Information

Molecular Formula
C20H20N2O4
SMILES
CCOC(=O)C1=C(C2=CC=CC=C2N(C1=O)C)NC3=CC=C(C=C3)OC
InChI
InChI=1S/C20H20N2O4/c1-4-26-20(24)17-18(21-13-9-11-14(25-3)12-10-13)15-7-5-6-8-16(15)22(2)19(17)23/h5-12,21H,4H2,1-3H3
InChIKey
ITYIUMGOUHINCR-UHFFFAOYSA-N
Compound name
ethyl 4-(4-methoxyanilino)-1-methyl-2-oxoquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.1423 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.14958 182.8
[M+Na]+ 375.13152 197.7
[M+NH4]+ 370.17612 189.4
[M+K]+ 391.10546 190.3
[M-H]- 351.13502 187.0
[M+Na-2H]- 373.11697 190.1
[M]+ 352.14175 186.1
[M]- 352.14285 186.1
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.