CID 6433295

Acetylfuratrizine

Structural Information

Molecular Formula
C11H9N5O4
SMILES
CC(=O)NC1=NC=C(N=N1)/C=C/C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C11H9N5O4/c1-7(17)13-11-12-6-8(14-15-11)2-3-9-4-5-10(20-9)16(18)19/h2-6H,1H3,(H,12,13,15,17)/b3-2+
InChIKey
SWMPGCCDXNLPED-NSCUHMNNSA-N
Compound name
N-[6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,2,4-triazin-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

275.06546 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.07274 158.1
[M+Na]+ 298.05468 165.2
[M-H]- 274.05818 162.5
[M+NH4]+ 293.09928 169.1
[M+K]+ 314.02862 159.2
[M+H-H2O]+ 258.06272 153.1
[M+HCOO]- 320.06366 181.2
[M+CH3COO]- 334.07931 191.5
[M+Na-2H]- 296.04013 166.1
[M]+ 275.06491 157.9
[M]- 275.06601 157.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe