CID 6242497

(alphaz)-2-amino-alpha-[[2-(1,1-dimethylethoxy)-1,1-dimethyl-2-oxoethoxy]imino]-4-thiazoleacetic acid

Structural Information

Molecular Formula
C13H19N3O5S
SMILES
CC(C)(C)OC(=O)C(C)(C)O/N=C(/C1=CSC(=N1)N)\C(=O)O
InChI
InChI=1S/C13H19N3O5S/c1-12(2,3)20-10(19)13(4,5)21-16-8(9(17)18)7-6-22-11(14)15-7/h6H,1-5H3,(H2,14,15)(H,17,18)/b16-8-
InChIKey
FNRZBOJFRDVEOG-PXNMLYILSA-N
Compound name
(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyiminoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

106
Patents

329.10455 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.11183 176.1
[M+Na]+ 352.09377 180.8
[M-H]- 328.09727 178.0
[M+NH4]+ 347.13837 189.9
[M+K]+ 368.06771 180.4
[M+H-H2O]+ 312.10181 169.6
[M+HCOO]- 374.10275 190.4
[M+CH3COO]- 388.11840 209.4
[M+Na-2H]- 350.07922 176.1
[M]+ 329.10400 180.5
[M]- 329.10510 180.5
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.