CID 5359636

1704-66-1

Structural Information

Molecular Formula
C8H7N5O4
SMILES
CC(=O)NC1=NNC(=N1)C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C8H7N5O4/c1-4(14)9-8-10-7(11-12-8)5-2-3-6(17-5)13(15)16/h2-3H,1H3,(H2,9,10,11,12,14)
InChIKey
POTIEOZESUKHDP-UHFFFAOYSA-N
Compound name
N-[5-(5-nitrofuran-2-yl)-1H-1,2,4-triazol-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

237.0498 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.05708 145.0
[M+Na]+ 260.03902 153.1
[M-H]- 236.04252 149.1
[M+NH4]+ 255.08362 158.8
[M+K]+ 276.01296 148.0
[M+H-H2O]+ 220.04706 141.2
[M+HCOO]- 282.04800 169.5
[M+CH3COO]- 296.06365 181.6
[M+Na-2H]- 258.02447 152.7
[M]+ 237.04925 144.8
[M]- 237.05035 144.8
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