CID 490046

Ethyl 2-(3-acetyl-2-methyl-6-iodo-4-quinolinyloxy)acetate

Structural Information

Molecular Formula
C16H16INO4
SMILES
CCOC(=O)COC1=C2C=C(C=CC2=NC(=C1C(=O)C)C)I
InChI
InChI=1S/C16H16INO4/c1-4-21-14(20)8-22-16-12-7-11(17)5-6-13(12)18-9(2)15(16)10(3)19/h5-7H,4,8H2,1-3H3
InChIKey
UYMRURKONVNMJZ-UHFFFAOYSA-N
Compound name
ethyl 2-(3-acetyl-6-iodo-2-methylquinolin-4-yl)oxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

413.01242 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.01970 175.4
[M+Na]+ 436.00164 177.0
[M-H]- 412.00514 171.7
[M+NH4]+ 431.04624 185.6
[M+K]+ 451.97558 180.4
[M+H-H2O]+ 396.00968 164.1
[M+HCOO]- 458.01062 190.0
[M+CH3COO]- 472.02627 214.6
[M+Na-2H]- 433.98709 166.0
[M]+ 413.01187 178.7
[M]- 413.01297 178.7
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

No patent data available for this compound.