CID 5274969

Schembl9261324

Structural Information

Molecular Formula
C16H17NO6
SMILES
CC(=O)OC(C1=C(C2=CC=CC=C2N(C1=O)C)OC)OC(=O)C
InChI
InChI=1S/C16H17NO6/c1-9(18)22-16(23-10(2)19)13-14(21-4)11-7-5-6-8-12(11)17(3)15(13)20/h5-8,16H,1-4H3
InChIKey
CEMVGPHOGXMVQE-UHFFFAOYSA-N
Compound name
[acetyloxy-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)methyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

319.1056 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.11288 167.7
[M+Na]+ 342.09482 176.5
[M-H]- 318.09832 171.5
[M+NH4]+ 337.13942 182.0
[M+K]+ 358.06876 175.7
[M+H-H2O]+ 302.10286 160.2
[M+HCOO]- 364.10380 187.2
[M+CH3COO]- 378.11945 208.9
[M+Na-2H]- 340.08027 169.7
[M]+ 319.10505 175.5
[M]- 319.10615 175.5
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

patents stripe