CID 3038624

Brn 1153672

Structural Information

Molecular Formula
C8H8N6O4
SMILES
CCN(C1=NNC(=N1)C2=CC=C(O2)[N+](=O)[O-])N=O
InChI
InChI=1S/C8H8N6O4/c1-2-13(12-15)8-9-7(10-11-8)5-3-4-6(18-5)14(16)17/h3-4H,2H2,1H3,(H,9,10,11)
InChIKey
INWNIQQGCWZJGD-UHFFFAOYSA-N
Compound name
N-ethyl-N-[5-(5-nitrofuran-2-yl)-1H-1,2,4-triazol-3-yl]nitrous amide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.0607 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.06798 147.7
[M+Na]+ 275.04992 158.2
[M+NH4]+ 270.09452 152.6
[M+K]+ 291.02386 162.0
[M-H]- 251.05342 151.2
[M+Na-2H]- 273.03537 153.4
[M]+ 252.06015 149.6
[M]- 252.06125 149.6
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.