CID 13577060

76028-96-1

Structural Information

Molecular Formula
C11H16N4O5S
SMILES
CCCCOC(=O)C(C)O/N=C(/C1=NSC(=N1)N)\C(=O)O
InChI
InChI=1S/C11H16N4O5S/c1-3-4-5-19-10(18)6(2)20-14-7(9(16)17)8-13-11(12)21-15-8/h6H,3-5H2,1-2H3,(H,16,17)(H2,12,13,15)/b14-7-
InChIKey
HBJZQUOXCNYJOA-AUWJEWJLSA-N
Compound name
(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(1-butoxy-1-oxopropan-2-yl)oxyiminoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

316.08414 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.09142 170.7
[M+Na]+ 339.07336 174.8
[M+NH4]+ 334.11796 173.3
[M+K]+ 355.04730 174.1
[M-H]- 315.07686 167.6
[M+Na-2H]- 337.05881 170.3
[M]+ 316.08359 169.9
[M]- 316.08469 169.9
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

patents stripe