CID 10753

Furothiazole

Structural Information

Molecular Formula
C9H7N3O4S
SMILES
CC(=O)NC1=NC(=CS1)C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C9H7N3O4S/c1-5(13)10-9-11-6(4-17-9)7-2-3-8(16-7)12(14)15/h2-4H,1H3,(H,10,11,13)
InChIKey
GYRMPDLIHUXUIG-UHFFFAOYSA-N
Compound name
N-[4-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

8
References

430
Patents

253.01573 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.023006 152.2
[M+Na]+ 276.004948 160.9
[M-H]- 252.008454 160.2
[M+NH4]+ 271.049553 169.5
[M+K]+ 291.978888 155.6
[M+H-H2O]+ 236.012990 150.2
[M+HCOO]- 298.013931 175.4
[M+CH3COO]- 312.029581 185.2
[M+Na-2H]- 273.990396 156.7
[M]+ 253.01518142 155.2
[M]- 253.01627858 155.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe