CID 32486

Fanft

Structural Information

Molecular Formula
C8H5N3O4S
SMILES
C1=C(OC(=C1)[N+](=O)[O-])C2=CSC(=N2)NC=O
InChI
InChI=1S/C8H5N3O4S/c12-4-9-8-10-5(3-16-8)6-1-2-7(15-6)11(13)14/h1-4H,(H,9,10,12)
InChIKey
ZQBWQLJJMGJREB-UHFFFAOYSA-N
Compound name
N-[4-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]formamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

232
References

122
Patents

239.00008 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.00736 146.8
[M+Na]+ 261.98930 156.3
[M-H]- 237.99280 154.8
[M+NH4]+ 257.03390 164.7
[M+K]+ 277.96324 150.7
[M+H-H2O]+ 221.99734 144.8
[M+HCOO]- 283.99828 171.4
[M+CH3COO]- 298.01393 182.1
[M+Na-2H]- 259.97475 152.9
[M]+ 238.99953 150.2
[M]- 239.00063 150.2
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