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 149.3
[M+Na]+ 260.99404 158.7
[M-H]- 236.99754 155.9
[M+NH4]+ 256.03864 167.4
[M+K]+ 276.96798 157.6
[M+H-H2O]+ 221.00208 143.4
[M+HCOO]- 283.00302 169.9
[M+CH3COO]- 297.01867 184.0
[M+Na-2H]- 258.97949 150.8
[M]+ 238.00427 153.8
[M]- 238.00537 153.8
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