CID 119163

Sanazole

Structural Information

Molecular Formula
C7H11N5O4
SMILES
COCCNC(=O)CN1C=NC(=N1)[N+](=O)[O-]
InChI
InChI=1S/C7H11N5O4/c1-16-3-2-8-6(13)4-11-5-9-7(10-11)12(14)15/h5H,2-4H2,1H3,(H,8,13)
InChIKey
YKDRHKCETNMLHL-UHFFFAOYSA-N
Compound name
N-(2-methoxyethyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

53
References

44
Patents

229.0811 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.08838 145.3
[M+Na]+ 252.07032 151.8
[M-H]- 228.07382 145.5
[M+NH4]+ 247.11492 159.7
[M+K]+ 268.04426 147.4
[M+H-H2O]+ 212.07836 141.2
[M+HCOO]- 274.07930 169.1
[M+CH3COO]- 288.09495 184.0
[M+Na-2H]- 250.05577 153.1
[M]+ 229.08055 145.9
[M]- 229.08165 145.9
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