CID 3068162

Acetic acid, oxo((4-(2-furanyl)-2-thiazolyl)amino)-

Structural Information

Molecular Formula
C9H6N2O4S
SMILES
C1=COC(=C1)C2=CSC(=N2)NC(=O)C(=O)O
InChI
InChI=1S/C9H6N2O4S/c12-7(8(13)14)11-9-10-5(4-16-9)6-2-1-3-15-6/h1-4H,(H,13,14)(H,10,11,12)
InChIKey
QBSXPIUJNJRTTF-UHFFFAOYSA-N
Compound name
2-[[4-(furan-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

238.00482 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.01210 149.8
[M+Na]+ 260.99404 159.1
[M+NH4]+ 256.03864 156.0
[M+K]+ 276.96798 157.9
[M-H]- 236.99754 151.9
[M+Na-2H]- 258.97949 154.2
[M]+ 238.00427 151.8
[M]- 238.00537 151.8
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