CID 3038631

Brn 1170553

Structural Information

Molecular Formula
C11H11N5O5
SMILES
CC(=O)N(C1=NN=C(N1C)C2=CC=C(O2)[N+](=O)[O-])C(=O)C
InChI
InChI=1S/C11H11N5O5/c1-6(17)15(7(2)18)11-13-12-10(14(11)3)8-4-5-9(21-8)16(19)20/h4-5H,1-3H3
InChIKey
GIUXPUNETWPBFU-UHFFFAOYSA-N
Compound name
N-acetyl-N-[4-methyl-5-(5-nitrofuran-2-yl)-1,2,4-triazol-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.07602 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.08330 159.2
[M+Na]+ 316.06524 169.5
[M+NH4]+ 311.10984 163.0
[M+K]+ 332.03918 174.6
[M-H]- 292.06874 161.3
[M+Na-2H]- 314.05069 163.0
[M]+ 293.07547 160.6
[M]- 293.07657 160.6
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.