CID 25033

10187-79-8

Structural Information

Molecular Formula
C9H9N5O4
SMILES
CC(=O)NC1=NC(=NN1C)C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C9H9N5O4/c1-5(15)10-9-11-8(12-13(9)2)6-3-4-7(18-6)14(16)17/h3-4H,1-2H3,(H,10,11,12,15)
InChIKey
VSMVDSLPLUCSKC-UHFFFAOYSA-N
Compound name
N-[2-methyl-5-(5-nitrofuran-2-yl)-1,2,4-triazol-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.06546 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.07274 149.6
[M+Na]+ 274.05468 161.0
[M+NH4]+ 269.09928 154.5
[M+K]+ 290.02862 164.6
[M-H]- 250.05818 152.4
[M+Na-2H]- 272.04013 154.4
[M]+ 251.06491 151.5
[M]- 251.06601 151.5
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.