CID 9588603

Methyl (z)-alpha-(methoxyimino)-2-((1-oxopropyl)amino)-4-thiazoleacetate

Structural Information

Molecular Formula
C10H13N3O4S
SMILES
CCC(=O)NC1=NC(=CS1)/C(=N/OC)/C(=O)OC
InChI
InChI=1S/C10H13N3O4S/c1-4-7(14)12-10-11-6(5-18-10)8(13-17-3)9(15)16-2/h5H,4H2,1-3H3,(H,11,12,14)/b13-8-
InChIKey
PWAIXUOJYRFLMR-JYRVWZFOSA-N
Compound name
methyl (2Z)-2-methoxyimino-2-[2-(propanoylamino)-1,3-thiazol-4-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.06268 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.06996 160.5
[M+Na]+ 294.05190 166.7
[M-H]- 270.05540 164.4
[M+NH4]+ 289.09650 177.6
[M+K]+ 310.02584 166.2
[M+H-H2O]+ 254.05994 152.8
[M+HCOO]- 316.06088 180.6
[M+CH3COO]- 330.07653 200.5
[M+Na-2H]- 292.03735 160.3
[M]+ 271.06213 166.3
[M]- 271.06323 166.3
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.