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 149.4
[M+Na]+ 277.02918 156.8
[M-H]- 253.03268 155.0
[M+NH4]+ 272.07378 161.9
[M+K]+ 293.00312 148.3
[M+H-H2O]+ 237.03722 149.5
[M+HCOO]- 299.03816 176.1
[M+CH3COO]- 313.05381 183.8
[M+Na-2H]- 275.01463 160.8
[M]+ 254.03941 148.7
[M]- 254.04051 148.7
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.