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 186.3
[M-H]- 345.10922 183.9
[M+NH4]+ 364.15032 191.1
[M+K]+ 385.07966 186.0
[M+H-H2O]+ 329.11376 171.0
[M+HCOO]- 391.11470 196.4
[M+CH3COO]- 405.13035 214.8
[M+Na-2H]- 367.09117 181.9
[M]+ 346.11595 185.5
[M]- 346.11705 185.5
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

No patent data available for this compound.