CID 3038632

Brn 1224854

Structural Information

Molecular Formula
C7H6N6O5
SMILES
CN1C(=NN=C1N[N+](=O)[O-])C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C7H6N6O5/c1-11-6(8-9-7(11)10-13(16)17)4-2-3-5(18-4)12(14)15/h2-3H,1H3,(H,9,10)
InChIKey
SQIBOBPSZHMHDZ-UHFFFAOYSA-N
Compound name
N-[4-methyl-5-(5-nitrofuran-2-yl)-1,2,4-triazol-3-yl]nitramide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.03996 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.04724 150.6
[M+Na]+ 277.02918 162.2
[M+NH4]+ 272.07378 155.3
[M+K]+ 293.00312 168.2
[M-H]- 253.03268 154.6
[M+Na-2H]- 275.01463 155.2
[M]+ 254.03941 152.7
[M]- 254.04051 152.7
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.