CID 54686487

84088-82-4

Structural Information

Molecular Formula
C14H13NO4
SMILES
CCOC(=O)C1=C(C2=CC=CC3=C2N(C1=O)CC3)O
InChI
InChI=1S/C14H13NO4/c1-2-19-14(18)10-12(16)9-5-3-4-8-6-7-15(11(8)9)13(10)17/h3-5,16H,2,6-7H2,1H3
InChIKey
UFMJUWOLIFFYKD-UHFFFAOYSA-N
Compound name
ethyl 9-hydroxy-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

6
Patents

259.08447 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.09175 155.1
[M+Na]+ 282.07369 167.6
[M+NH4]+ 277.11829 162.6
[M+K]+ 298.04763 163.8
[M-H]- 258.07719 155.3
[M+Na-2H]- 280.05914 157.8
[M]+ 259.08392 156.7
[M]- 259.08502 156.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe