CID 363520

Nsc628452

Structural Information

Molecular Formula
C14H13NO5
SMILES
CC1=C(C(=O)C2=C(C1=O)N=C(C=C2)COC(=O)C)OC
InChI
InChI=1S/C14H13NO5/c1-7-12(17)11-10(13(18)14(7)19-3)5-4-9(15-11)6-20-8(2)16/h4-5H,6H2,1-3H3
InChIKey
RVGIUDHVXBUMRM-UHFFFAOYSA-N
Compound name
(6-methoxy-7-methyl-5,8-dioxoquinolin-2-yl)methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.07938 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.08666 156.6
[M+Na]+ 298.06860 167.0
[M-H]- 274.07210 160.7
[M+NH4]+ 293.11320 173.2
[M+K]+ 314.04254 165.1
[M+H-H2O]+ 258.07664 149.7
[M+HCOO]- 320.07758 177.2
[M+CH3COO]- 334.09323 201.1
[M+Na-2H]- 296.05405 160.2
[M]+ 275.07883 162.6
[M]- 275.07993 162.6
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.