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]+ 347.123776 178.3
[M+Na]+ 369.105718 186.3
[M-H]- 345.109224 183.9
[M+NH4]+ 364.150323 191.1
[M+K]+ 385.079658 186.0
[M+H-H2O]+ 329.113760 171.0
[M+HCOO]- 391.114701 196.4
[M+CH3COO]- 405.130351 214.8
[M+Na-2H]- 367.091166 181.9
[M]+ 346.11595142 185.5
[M]- 346.11704858 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.