CID 135783090

Brn 1167662

Structural Information

Molecular Formula
C8H8N6O5
SMILES
CCN(C1=NC(=NN1)C2=CC=C(O2)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C8H8N6O5/c1-2-12(14(17)18)8-9-7(10-11-8)5-3-4-6(19-5)13(15)16/h3-4H,2H2,1H3,(H,9,10,11)
InChIKey
YSJZFKGHFWOVCD-UHFFFAOYSA-N
Compound name
N-ethyl-N-[3-(5-nitrofuran-2-yl)-1H-1,2,4-triazol-5-yl]nitramide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.0556 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.06288 153.3
[M+Na]+ 291.04482 159.1
[M-H]- 267.04832 158.5
[M+NH4]+ 286.08942 164.8
[M+K]+ 307.01876 151.0
[M+H-H2O]+ 251.05286 153.1
[M+HCOO]- 313.05380 178.8
[M+CH3COO]- 327.06945 186.2
[M+Na-2H]- 289.03027 163.8
[M]+ 268.05505 151.9
[M]- 268.05615 151.9
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.