CID 5274961

Schembl9256830

Structural Information

Molecular Formula
C17H17NO7
SMILES
CC(=O)OC1=C(C(=O)N(C2=CC=CC=C21)C)C(OC(=O)C)OC(=O)C
InChI
InChI=1S/C17H17NO7/c1-9(19)23-15-12-7-5-6-8-13(12)18(4)16(22)14(15)17(24-10(2)20)25-11(3)21/h5-8,17H,1-4H3
InChIKey
CHCSAXVQYYTGGR-UHFFFAOYSA-N
Compound name
[3-(diacetyloxymethyl)-1-methyl-2-oxoquinolin-4-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

347.1005 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.10778 172.6
[M+Na]+ 370.08972 180.8
[M-H]- 346.09322 176.3
[M+NH4]+ 365.13432 185.5
[M+K]+ 386.06366 180.6
[M+H-H2O]+ 330.09776 165.0
[M+HCOO]- 392.09870 191.1
[M+CH3COO]- 406.11435 213.6
[M+Na-2H]- 368.07517 173.2
[M]+ 347.09995 180.8
[M]- 347.10105 180.8
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