CID 47078

64057-56-3

Structural Information

Molecular Formula
C10H11N5O4
SMILES
CCN1C(=NN=C1NC(=O)C)C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C10H11N5O4/c1-3-14-9(12-13-10(14)11-6(2)16)7-4-5-8(19-7)15(17)18/h4-5H,3H2,1-2H3,(H,11,13,16)
InChIKey
HOFUYOKPVZJJHW-UHFFFAOYSA-N
Compound name
N-[4-ethyl-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

265.08112 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.08840 155.0
[M+Na]+ 288.07034 163.6
[M-H]- 264.07384 160.4
[M+NH4]+ 283.11494 168.6
[M+K]+ 304.04428 158.8
[M+H-H2O]+ 248.07838 151.0
[M+HCOO]- 310.07932 180.3
[M+CH3COO]- 324.09497 191.3
[M+Na-2H]- 286.05579 161.4
[M]+ 265.08057 157.7
[M]- 265.08167 157.7
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.