CID 835039

Brn 0428159

Structural Information

Molecular Formula
C15H15NO5
SMILES
CCOC(=O)C1=C(C2=CC=CC=C2N(C1=O)C)OC(=O)C
InChI
InChI=1S/C15H15NO5/c1-4-20-15(19)12-13(21-9(2)17)10-7-5-6-8-11(10)16(3)14(12)18/h5-8H,4H2,1-3H3
InChIKey
NWNJIHZOFPDYAH-UHFFFAOYSA-N
Compound name
ethyl 4-acetyloxy-1-methyl-2-oxoquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.09503 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.10231 162.7
[M+Na]+ 312.08425 175.8
[M+NH4]+ 307.12885 168.5
[M+K]+ 328.05819 170.8
[M-H]- 288.08775 162.8
[M+Na-2H]- 310.06970 166.8
[M]+ 289.09448 164.4
[M]- 289.09558 164.4
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.