CID 5483561

10187-84-5

Structural Information

Molecular Formula
C7H7N5O3
SMILES
CNC1=NNC(=N1)C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C7H7N5O3/c1-8-7-9-6(10-11-7)4-2-3-5(15-4)12(13)14/h2-3H,1H3,(H2,8,9,10,11)
InChIKey
XKSGTCCXIBWORN-UHFFFAOYSA-N
Compound name
N-methyl-5-(5-nitrofuran-2-yl)-1H-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.05489 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.062166 137.7
[M+Na]+ 232.044108 146.5
[M-H]- 208.047614 141.7
[M+NH4]+ 227.088713 152.8
[M+K]+ 248.018048 141.1
[M+H-H2O]+ 192.052150 134.0
[M+HCOO]- 254.053091 163.2
[M+CH3COO]- 268.068741 177.2
[M+Na-2H]- 230.029556 146.9
[M]+ 209.05434142 137.3
[M]- 209.05543858 137.3
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.