CID 3066402

Brn 5639701

Structural Information

Molecular Formula
C17H18N2O6
SMILES
CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)NCC(=O)OCC
InChI
InChI=1S/C17H18N2O6/c1-3-19-8-11(17(22)18-7-15(20)23-4-2)16(21)10-5-13-14(6-12(10)19)25-9-24-13/h5-6,8H,3-4,7,9H2,1-2H3,(H,18,22)
InChIKey
HLYQLXAVWJMPDR-UHFFFAOYSA-N
Compound name
ethyl 2-[(5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carbonyl)amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.1165 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.12378 178.3
[M+Na]+ 369.10572 188.8
[M+NH4]+ 364.15032 183.2
[M+K]+ 385.07966 187.0
[M-H]- 345.10922 180.7
[M+Na-2H]- 367.09117 178.6
[M]+ 346.11595 180.1
[M]- 346.11705 180.1
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.