CID 9588603

4-thiazoleacetic acid, alpha-(methoxyimino)-2-((1-oxopropyl)amino)-, methyl ester, (z)-

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]+ 272.069956 160.5
[M+Na]+ 294.051898 166.7
[M-H]- 270.055404 164.4
[M+NH4]+ 289.096503 177.6
[M+K]+ 310.025838 166.2
[M+H-H2O]+ 254.059940 152.8
[M+HCOO]- 316.060881 180.6
[M+CH3COO]- 330.076531 200.5
[M+Na-2H]- 292.037346 160.3
[M]+ 271.06213142 166.3
[M]- 271.06322858 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.