CID 3047729

Metioxate

Structural Information

Molecular Formula
C22H27N3O4S
SMILES
CCN1C=C(C(=O)C2=C1C=CC3=C2SC(=O)N3C)C(=O)OCCN4CCC(CC4)C
InChI
InChI=1S/C22H27N3O4S/c1-4-25-13-15(21(27)29-12-11-24-9-7-14(2)8-10-24)19(26)18-16(25)5-6-17-20(18)30-22(28)23(17)3/h5-6,13-14H,4,7-12H2,1-3H3
InChIKey
IXQKKLAOJKWQCM-UHFFFAOYSA-N
Compound name
2-(4-methylpiperidin-1-yl)ethyl 6-ethyl-3-methyl-2,9-dioxo-[1,3]thiazolo[5,4-f]quinoline-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

429.17224 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.17952 203.3
[M+Na]+ 452.16146 213.0
[M-H]- 428.16496 208.2
[M+NH4]+ 447.20606 214.0
[M+K]+ 468.13540 206.9
[M+H-H2O]+ 412.16950 194.5
[M+HCOO]- 474.17044 213.5
[M+CH3COO]- 488.18609 228.3
[M+Na-2H]- 450.14691 200.4
[M]+ 429.17169 210.1
[M]- 429.17279 210.1
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.