CID 335825

60084-14-2

Structural Information

Molecular Formula
C9H8N2O3S
SMILES
C1=C(OC(=C1)C2=NC(=CS2)C(=O)N)CO
InChI
InChI=1S/C9H8N2O3S/c10-8(13)6-4-15-9(11-6)7-2-1-5(3-12)14-7/h1-2,4,12H,3H2,(H2,10,13)
InChIKey
OQCLZQWTNBBAKN-UHFFFAOYSA-N
Compound name
2-[5-(hydroxymethyl)furan-2-yl]-1,3-thiazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

224.02556 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.03284 145.6
[M+Na]+ 247.01478 156.2
[M-H]- 223.01828 151.9
[M+NH4]+ 242.05938 164.5
[M+K]+ 262.98872 154.1
[M+H-H2O]+ 207.02282 140.0
[M+HCOO]- 269.02376 166.3
[M+CH3COO]- 283.03941 183.7
[M+Na-2H]- 245.00023 146.5
[M]+ 224.02501 149.7
[M]- 224.02611 149.7
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.